DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. … · DEPARTAMENTO DE COMPUTACION Y ROBÓTICA...

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DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. Rendón-Mancha, M.A. García, A. Cárdenas, B. Lara and Emilio González Galván. Robot Positioning using Camera-Space Manipulation with a Linear Camera Model. IEEE Transactions on Robotics 26 (2010) 726. J. M. Rendón-Mancha, G. Sanahuja, P. Castillo and R. Lozano. A new experimental ground vehicle with hybrid control and hybrid vision sensor. Journal of Applied Research and Technology 8 (2010) 310. N. Vakhania. Fast algorithms for preemptive scheduling of jobs with release times on a single processor to minimize the number of late jobs. Int. J. on Computers 4 (2010) 79- 87. 2011 E. Shchepin and N. Vakhania. A note on the proof of the complexity of the little- preemptive open-shop problem. Annals of Operations Res. 191 (2011) 251-253. 2012 J. Fuentes, J. Ruiz, J. M. Rendón-Mancha. Visual simultaneous localization and mapping: a survey. Artificial Intelligence Review 43 (2012) 55-81. D. Rodríguez, J. Hermosillo, and B. Lara. Meaning in artificial agents: The symbol grounding problem revisited, Minds and Machines 22 (2012) 25. Schillaci, G., Lara, B., Hafner, V. Internal Simulations for Behaviour Selection and Recognition. In: Salah, A., Ruiz-del Solar, J., Mericli, C., Oudeyer, P.Y. (eds.) Human Behavior Understanding, Lecture Notes in Computer Science, 7559, p. 148-160. Springer Berlin/Heidelberg (2012). S.P. Verma, R. Cruz-Huicochea and L. Diáz-González. Univariate data analysis system: deciphering mean compositons of island and continental arc magmas, and influence of the underlying crust. International Geology Review 54 (2012) 593-614. Vakhania N., Werner F. A Combinatorial Approximation Algorithm for Selecting the Gate Sizes from Finite Sets in VLSI Circuits. International Journal of Operational Research Nepal 1 (2012) 33 – 48. N. Vakhania. Branch less, cut more and minimize the number of late equal-length jobs on identical machines. Theoretical Computer Science 465 (2012) 49-60 http://dx.doi.org/10.1016/j.tcs.2012.08.031, 2012. 2013 D. Castillo-Arceo, E. Escobar, J. Hermosillo y B. Lara. Modelado de un Sistema de Neuronas Espejo en un Agente Autónomo Artificial. Nova Scientia 5 (2013) 51. L. Díaz-González, R. Cruz-Huicochea. Aplicación de las pruebas estadísticas de discordancia y significancia en la comparación del vulcanismo dacítico de la parte central de Cinturón Volcánico Mexicano. Nova Scientia 6 (2013) 158-178. L. Díaz-González, C.A. Hidalgo-Dávila, E. Santoyo y J. Hermosillo-Valadez. Evaluación de arquitecturas y técnicas numéricas de entrenamiento de redes neuronales artificiales

Transcript of DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. … · DEPARTAMENTO DE COMPUTACION Y ROBÓTICA...

Page 1: DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. … · DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. Rendón-Mancha, M.A. García, A. Cárdenas, B. Lara and Emilio González

DEPARTAMENTODECOMPUTACIONYROBÓTICA2010J.M.Rendón-Mancha,M.A.García,A.Cárdenas,B.LaraandEmilioGonzálezGalván.RobotPositioningusingCamera-SpaceManipulationwithaLinearCameraModel. IEEETransactionsonRobotics26(2010)726.J. M. Rendón-Mancha, G. Sanahuja, P. Castillo and R. Lozano. A new experimentalgroundvehiclewithhybridcontrolandhybridvisionsensor.JournalofAppliedResearchandTechnology8(2010)310.N.Vakhania. Fastalgorithmsforpreemptiveschedulingofjobswithreleasetimesonasingleprocessortominimizethenumberoflatejobs. Int. J.onComputers 4 (2010)79-87.2011E. Shchepin and N. Vakhania. A note on the proof of the complexity of the little-preemptiveopen-shopproblem.AnnalsofOperationsRes.191(2011)251-253.2012J.Fuentes,J.Ruiz,J.M.Rendón-Mancha.Visualsimultaneouslocalizationandmapping:asurvey.ArtificialIntelligenceReview43(2012)55-81.D. Rodríguez, J. Hermosillo, and B. Lara. Meaning in artificial agents: The symbolgroundingproblemrevisited,MindsandMachines22(2012)25.Schillaci, G., Lara, B., Hafner, V. Internal Simulations for Behaviour Selection andRecognition. In: Salah, A., Ruiz-del Solar, J., Mericli, C., Oudeyer, P.Y. (eds.) HumanBehaviorUnderstanding,LectureNotesinComputerScience,7559,p.148-160.SpringerBerlin/Heidelberg(2012).S.P.Verma,R.Cruz-HuicocheaandL.Diáz-González.Univariatedataanalysissystem:decipheringmean compositons of islandand continental arcmagmas, and influenceoftheunderlyingcrust.InternationalGeologyReview54(2012)593-614.Vakhania N., Werner F. A Combinatorial Approximation Algorithm for Selecting theGate Sizes from Finite Sets in VLSI Circuits. International Journal of OperationalResearchNepal1(2012)33–48.N.Vakhania.Branchless,cutmoreandminimizethenumberof lateequal-lengthjobson identical machines. Theoretical Computer Science 465 (2012) 49-60http://dx.doi.org/10.1016/j.tcs.2012.08.031,2012.2013D. Castillo-Arceo, E. Escobar, J. Hermosillo y B. Lara. Modelado de un Sistema deNeuronasEspejoenunAgenteAutónomoArtificial.NovaScientia5(2013)51.L. Díaz-González, R. Cruz-Huicochea. Aplicación de las pruebas estadísticas dediscordancia y significancia en la comparación del vulcanismo dacítico de la partecentraldeCinturónVolcánicoMexicano.NovaScientia6(2013)158-178.L.Díaz-González,C.A.Hidalgo-Dávila,E.SantoyoyJ.Hermosillo-Valadez.Evaluacióndearquitecturasytécnicasnuméricasdeentrenamientoderedesneuronalesartificiales

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para estudios geotermométricos de sistemas geotérmicos. Revista Mexicana deIngenieríaQuímica,12(2013)105.A. Guerrero, J. Espinal, C. D. Wood, J. M. Rendón-Mancha, J. Carneiro, G. Martínez-Mekler,andA.Darszon.Niflumicaciddisruptsmarinespermatozoanchemotaxiswithoutimpairing the spatiotemporal detection of chemoattractant gradients. Journal of CellScience126(2013)1477-1487.N.Vakhania. A study of single-machine scheduling problem to maximize throughput.JournalofScheduling16(2013)395-403,DOI10.1007/s10951-012-0307-8N.Vakhania, F.Werner.Minimizingmaximumlatenessofjobswithnaturallyboundedjob data on a singlemachine in polynomial time. Theoretical Computer Science 501(2013)72–81.DOI:10.1016/j.tcs.2013.07.001.2014L. Carballo, N. Vakhania and F. Werner. Reducing efficiently the search tree formultiprocessor job-shop scheduling problems. International Journal of ProductionResearch,51(2014)7105–7119.DOI:0.1080/00207543.2013.837226.N.Vakhania,J.Hernández,F.Werner.Schedulingunrelatedmachineswithtwotypesofjobs.InternationalJournalofProductionResearch52(2014)3793-3801DOI:10.1080/00207543.2014.888789DEPARTAMENTODEMATEMATICAS

2010

M.K.AtakishiyevaandN.M.Atakishiyev,Onliftingq-differenceoperatorsintheAskeyschemeofbasichypergeometricpolynomials.J.PhysA:Math.&Theor.43(2010)145201.

Yu.I.Karlovich,J.Loreto-Hernandez:Wiener-Hopfoperatorswithoscillatingsymbolsonweighted Lebesgue spaces, en "Recent Trends in Toeplitz and PseudodifferentialOperators. The Nikolai Vasilevskii Anniversary Volume", Eds. R.V. Duduchava, I.Gohberg,S.M.Grudski,V.Rabinovich.OperatorTheory:AdvancesandApplications210(2010)123-145.

Yu.I. Karlovich, I.M. Spitkovsky, Almost periodic polynomial factorization of sometriangularmatrixfunctions,en"TopicsinOperatorTheory1:Operators,MatricesandAnalyticFunctions",Eds.J.A.Ball,V.Bolotnikov,J.W.Helton,L.Rodman,I.M.Spitkovsky.Birkhauser,Basel.OperatorTheory:AdvancesandApplications,202(2010)337-354.

M.C.Camara,Yu.I.Karlovich,I.M.Spitkovsky:Constructivealmostperiodicfactorizationofsometriangularmatrixfunctions,J.Math.Anal.Appl.,367(2010)416-433.

J. Rivera-Noriega, TworesultsoversetswithbigpiecesofparabolicLipschitzgraphs.HoustonJournalofMathematics36(2010)619-635.

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2011M.K.Atakishiyeva and N.M.Atakishiyev, A non-standard generating function forcontinuous dual q-Hahn polynomials, Revista de Matematicas: Teoría y AplicacionesXVIII(2011)11-120. M.K.Atakishiyeva, N.M.Atakishiyev, Lifting q-Difference Operators for Askey-WilsonpolynomialsandTheirWeightFunction,PhysicsofAtomicNuclei74(2011)837-845.M.Boege,G.Hinojosa,A.Verjovsky.AnysmoothknotSn->Rn+2isisotopictoacubicknotcontainedinthecanonicalscaffoldingofRn+2.Rev.Mat.Complut.24(2011)1-13.DOI:10.1007/s13163-010-0037-4.

Yu.I.Karlovich,V.S.Rabinovich,N.L.Vasilevski,Algebrasofpseudodifferentialoperatorswith discontinuous oscillating symbols, Communications in Mathematical Analysis,Conference3(2011)108-130.

A. Yu. Karlovich, Y.I. Karlovich, and Amarino B. Lebre, Sufficient conditions forFredholmness of singular integral operators with shifts and slowly oscillating data,IntegralEquationsandOperatorTheory70(2011)451-483.

A. Yu. Karlovich, Y. I. Karlovich, and Amarino B. Lebre, Necessary conditions forFredholmness of singular integral operators with shifts and slowly oscillating data,IntegralEquationsandOperatorTheory71(2011)29-53.

M.A.Bastos,C.A.Fernandes,Yu.I.Karlovich,AnonlocalC*-algebraofsingularintegraloperatorswithshiftshavingperiodicpoints.IntegralEquationsandOperatorTheory71(2011)509-534.

M.A. Bastos, A. Bravo, Yu.I. Karlovich, I.M. Spitkovsky, Constructive factorization ofsomealmostperiodictriangularmatrixfunctionswithaquadrinomialoffdiagonalentry,J.Math.Anal.Applied376(2011)625-640.

2012

P.Plaumann,L.Sabinina,L.Sbitneva.Somevarietiesofquasigroupsandloopsandtheirparastrophes.CommunicationsinMath.Applications3(2012)75-85.

L. Sbitneva, Inclusion of Loops into Lie Groups: Infinitesimal CharacteristicsCommunicationsinMathematicsandApplications3(2012)87-97.

M.C.Camara,C.Diogo,Yu.I.Karlovich,I.M.Spitkovsky,Factorizations,Riemann-Hilbertproblemsandthecoronatheorem,J.LondonMath.Soc.86(2012)852-878.

Yu.I.Karlovich,Boundednessandcompactnessofpseudodifferentialoperatorswithnon-regularsymbolsonweightedLebesguespaces, IntegralEquationsandOperatorTheory73(2012)217-254.

Yu.I. Karlovich, J. Loreto-Hernandez, Convolution type operators with oscillatingsymbolsonweightedLebesguespacesonaunionofintervals,Mathematica54(2012)104-119.

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Yu.I.Karlovich,V.A.Mozel,OnnonlocalC*-algebraoftwo-dimensionalsingularintegraloperators,enellibro:"RecentProgressinOperatorTheoryandItsApplications",Eds.J.A. Ball, R.E. Curto, S.M. Grudsky, J.W. Helton, R. Quiroga-Barranco, N.L. Vasilevski.OperatorTheory:AdvancesandApplications220.Birkhauser,Basel,(2012)115-135.

Yu.I.Karlovich,V.A.Mozel.C*-algebrasofBergmanTypeOperatorswithPiecewiseContinuousCoefficientsandShifts.ComplexVariablesandEllipticEquations57(2012)848-865.

Yu.I. Karlovich, I. Loreto Hernandez: Algebras of convolution type operators withpiecewiseslowlyoscillatingdata.I:Localandstructuralstudy,IntegralEquationsandOperatorTheory74(2012)377-415.

A.E.ChoqueRivero,Yu.I.Karlovich,A.E.Merzon,P.N.Zhevandrov:Ontheconvergenceof theamplitudeof thediffractednonstationarywave in scatteringbywedges, RussianJournalofMathematicalPhysics19(2012)373-384.

J.Rivera-Noriega,ParabolicSquareFunctionsandCaloricMeasure.CommunicationsinMathematicalAnalysis13(2012)64-85.

P.Plaumann, L.Sbitneva. SomevarietiesofQuasigroups,Loopsand theirParastrophes.CommunicationsinMathematicsandApplications3(2012)75-85.A.Grishkov,P.Plaumann,L.Sabinina,ThestructureoffreeautomorphicMoufangloops.ProceedingsoftheAmericanMathematicalSociety140(2012)2209-2214.2013M.K.Atakishiyeva and N.M.Atakishiyev, On discrete q–extensions of ChebyshevPolynomials,CommunicationsinMathematicalAnalysis14(2013)1-12.

M.C.Câmara,Yu.I. Karlovich, I.M.Spitkovsky:KernelsofasymmetricToeplitzoperatorsand applications to almost periodic factorization. Complex Analysis and OperatorTheory7(2013)375-407.

G.Hinojosa,A.VerjovskyandC.Verjovsky.Cubulatedmovesanddiscreteknots.JournalofKnotTheoryand ItsRamifications,22 (2013)1350079. DOI:10.1142/S021821651350079X

G.Hinojosa,D.Torres,R.Valdez.AlgorithmsforComputingSomeInvariantsfordiscreteknots. Applied Mathematics, Scientific Research 4 (2013) 1526-1530. DOI:10.4236/am.2013.411206

Yu.I.Karlovich and I.Loreto-Hernandez,Onconvolutiontypeoperatorswithpiecewiseslowlyoscillatingdata,enellibro:"OperatorTheory,Pseudo-DifferentialEquations,andMathematical Physics. The Vladimir Rabinovich Anniversary Volume", Eds. Yu. I.Karlovich, L.Rodino,B. Silbermann, I.M. Spitkovsky.OperatorTheory:Advances andApplications,228.Birkhauser,Basel,(2013),185-207.

Yu.I. Karlovich and I. Loreto-Hernandez,Algebrasofconvolution typeoperatorswithpiecewiseslowlyoscillatingdata. II:LocalSpectraandFredholmness, IntegralEquationsandOperatorTheory75(2013)49-86.

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J. Rivera-Noriega, Parabolic singular integrals and uniformly rectifiable sets in theparabolicsense.JournalofGeometricAnalysis23(2013)1140-1157.

K.V. Sklyar, G.M. Sklyar, Yu.I. Karlovich, On bang-bang controls for some nonlinearsystems,Commun.Math.Anal.14(2013)163-178.

E.V. Kopylova,Yu.I.Karlovich, A.I. Komech, A.E.Merzon,Onthespreadingrateofthesolitonperturbationforrelativisticnonlinearwaveequations, Comm.Math.Analysis14(2013)95-102.

Yu.I. Karlovich, Boundary value problems with finite groups of Lipschitz shifts,"ComplexAnalysis,PotentialtheoryandApplications",TransactionsoftheInstituteofMathematicsoftheNationalAcademyofSciencesofUkraine,10(2013)162-184.

2014

M.K.Atakishiyeva,N.M.Atakishiyev,K.B.Wolf,Kravchukoscillatorrevisited,JournalofPhysics:ConferenceSeries512(2014)012031.

M.A.Bastos,C.A.Fernandes,Yu.I.Karlovich,AC*-algebraofsingularintegraloperatorswithshiftsadnittingdistinctfixedpoints,J.Math.Anal.Appl.413(2014)502-524.

M.A. Bastos, A. Bravo, Yu.I. Karlovich, I.M. Spitkovsky: On the factorization of someblocktriangularalmostperiodicmatrixfunctions, enel libro:M.A.Bastos,A.Lebre, S.Samko, I.M. Spitkovsky (Eds.)Operator Theory,OperatorAlgebras andApplications.OperatorTheory:AdvancesandApplications,242.Springer,Basel,(2014)25-52.

M.A. Bastos, C.A. Fernandes, Yu.I. Karlovich, A C*-algebras of singular integraloperatorswithshiftssimilar toaffinemappings, en el libro: M. A. Bastos, A. Lebre, S.Samko, I.M. Spitkovsky (Eds.)Operator Theory,OperatorAlgebras andApplications.OperatorTheory:AdvancesandApplications,242.Springer,Basel,(2014)53-79.

A.Yu.Karlovich,Yu.I.Karlovich,A.B.Lebre:Fredholmnessandindexofsimplestsingularintegraloperatorswithtwoslowlyoscillatingshifts, OperatorsandMatrices8(2014)935-955.

R. Bulajich, G. Hinojosa, R. Valdez. How to break in small pieces an InternationalMathematicalOlympiadproblem?EDULEARNProceedings.InternationalAssociationofTechnology,EducationandDevelopment(IATED)14(2014)6342-6346.

A. Choque Rivero, Yu.I. Karlovich, V.A. Yurko. An Inverse Problem for DifferentialOperatorsonHedgehog-typeGraphswithGeneralMatchingConditions,Commun.Math.Anal.17(2014)98-107.

L. Sabinina, P-Plauman, I. Stuhl. The Cayley graph and the growth of Steiner loops.Comm.Math.Univ.Carolin.55(2014)493-498.

I. de la Cruz-Rodrıguez, Yu.I. Karlovich, I. Loreto-Hernandez. Commutators ofConvolutionTypeOperatorswithPiecewiseQuasicontinuousData,Commun.Math.Analysis17(2014)131-150.

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A. Yu. Karlovich, Yu I. Karlovich, A.B. Lebre. OnRegularization ofMellin PDO'swithSlowlyOscillatingSymbolsofLimitedSmoothness,Commun.Math.Analysis17(2014)189-208.

M.A. Bastos, C. Fernandes, and Yu. I. Karlovich. A C*-algebra of singular integraloperatorswithshiftsadmittingdistinctfixedpoints. Journal of Mathematical AnalysisandApplications413(2014)502-524.

J.Rivera-Noriega.ParabolicSingularIntegralsonAhlforsregularsets.CommunicationsinMathematicalAnalysis17(2014)311-337.

J.Rivera-Noriega.PerturbationandsolvabilityofinitialLpDirichletproblemsforparabolicequationsovernon-cylindricaldomains.CanadianJournalofMathematics66(2014)429-452.

M.Navarro-Burruel and J.Rivera-Noriega.TheA-infinitypropertyofellipticmeasuresfor operators with coefficients supported in Whitney-type cubes. Journal ofMathematicalAnalysisandApplications420(2014)515-531.

DEPARTAMENTODEFÍSICA

2010J.M.Cruz,J.Escalona,P.Parmananda,R.Karnatak,A.Prasad,andR.Ramaswamy,Phase-fliptransitionincoupledelectrochemicalcells.PhysicalReviewE81(2010)046213.M.Dasgoupta,M.Rivera,andP.Parmananda,SuppressionandgenerationofrhythmsinconjugatelycouplednonlinearSystems.Chaos20(2010)1.K.Schindler,F.Amor,H.Gast,M.Müller,A.Stibal,L.Mariani,C.Rummel.Peri-ictal correlation dynamics of high-frequency (80-200Hz) intracranial EEG. EpilepsyResearch89(2010)72.C.Rummel,H.Gast,K.Schindler,M.Müller,F.Amor,C.W.Hess,J.Mathis.Assessingperiodicityofperiodiclegmovementsduringsleep. Frontiers inNeuroscience4(2010)1.C. Rummel, M. Müller, G. Baier, F. Amor, K. Schindler, Analyzing spatio-temporalpatternsofgenuinecross-correlation.J.NeuroscienceMethods191(2010)94.S.Y.López,M.E.Mora-Ramos,C.A.Duque.CalculationofdirectandindirectexcitonsinGaAs-Ga1-xAlxAs coupled double quantum wells: Electric and magnetic fields andhydrostaticpressureeffects. SolidStateSciences12(2010)210-221.H.Rodríguez-Coppola,L.M.Gaggero-Sager,M.E.Mora-Ramos,R.Pérez-ÁlvarezThenonlocaldielectricfunctionintherandomphaseapproximationforn-typedelta-dopedquantumwellsinGaAs.JournalofAppliedPhysics108(2010)083717.

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M.E.Mora-Ramos,M.G.Barseghyan, C.A.Duque,ExcitonsincylindricalGaAsPöschl-Tellerquantumdots:Hydrostaticpressureandtemperatureeffects.PhysicaE43(2010)338-344.D.SantiagoPérezandR.Pérez-Álvarez,Vibrationalpropertiesofcubicgroup-IIInitrides:Forceconstantsstudy,PhysicaB,405(2010)4776-4779.H.Rodríguez-Coppola,L.M.Gaggero-Sager,M.Mora-Ramos,R.Pérez-Álvarez,Thenon-localdielectricfunctionintheRPAforan-typedelta-dopedquantumwellsinGaAs,JournalofAppliedPhysics108(2010)083717.A.Ramírez-Solís,F.JoliboisandL.Maron. Abinitiomoleculardynamicsstudiesonthegroundsingletpotentialenergysurfaceofthetetraoxygenmolecule,O4ChemicalPhysicsLetters485(2010)16.C.Zicovich-Wilson,M.L.SanRomán,andA.Ramírez-Solís.Mechanism of F- Elimination from Zeolitic D4R Units: A Periodic B3LYP Study on theOctadecasilZeolite.JournalofPhysicalChemistryC114(2010)2989.M. Caffarel, A. Scemama andA. Ramírez-Solís .Thelithium–thiophene interaction:acritical study using highly correlated electronic structure approaches of quantumchemistry.TheoreticalChemistryAccounts126(2010)326.DOI:10.1007/s00214-009-0713-yvC.Zicovich-Wilson,B.Kirtman,B.CivalleriandA.Ramírez-Solís.Periodic Density Functional Theory calculations for 3-Dimensional Polyacetylene withempiricalDispersionterms.PhysicalChemistryChemicalPhysics12(2010)3289.J.Hernández-Cobos,M.C.Vargas,A.Ramírez-SolísandI.Ortega-Blake.Aqueous solvation of As(OH)3: A Monte Carlo study with flexible polarizable classicalinteractionpotentials.JournalofChemicalPhysics132(2010)114501.I. Santoyo-Castillo andA.Ramírez-Solís.Theelectronicspectrumof AgBr2.Abinitiobenchmark vs. DFT calculations on the lowest ligand-field states including spin-orbiteffects.JournalofMolecularSpectroscopy263(2010)166.A. Ramírez-Solís, F. Jolibois and L. Maron. Ab initio Molecular Dynamics studies oftetrasulphur.DynamicscouplingtheC2vopenandD2hclosedformsofS4.JournalofPhysicalChemistryA114(2010)12378.F.Vázquez,F.Márkus.Non-fickianparticlediffusioninconfinedplasmasandthetransitionfromdiffusivetransporttodensitywavespropagation.PhysicsofPlasmas17(2010)042111.M.LópezdeHaro,F.Vázquez,M.A.Olivares-Robles,S.Cuevas.Entropygenerationinoscillatoryflowbetweenparallelplates,inNewTrendsinStatisticalPhysics.A.MacíasyL.Dagdug,eds.(WorldScientific,Singapore,2010),Chapter7,pp.97-112.F.B.Yousif,B.E.Fuentes,H.Martínez.AbsolutedifferentialandtotalcrosssectionsforneutralfragmentsHydrogenlikeionsinHe.JournalofPhysicsB:At.Mol.Opt.Phys.43(2010)235206.

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A.Meyer,F.Pascale,C.M.Zicovich-Wilson,andRobertoDovesi.Magneticinteractionsandelectronicstructureofuvaroviteandandraditegarnets.Anabinitioall-electronsimulationwiththeCRYSTAL06program. Int.J.QuantumChem.110(2010)338–351.C.M. Zicovich-Wilson, ML.San Román, and A. Ramírez-Solís. TheMechanism of F-EliminationfromZeoliticD4RUnits.APeriodicB3LYPStudyonTheOctadecasilZeolite.J.PhysicalChemistryC114(2010)2989–2995.DOI:10.1021/jp9088244C.M.Zicovich-Wilson,F.Gándara,A.Monge,andM.A.Camblor.InsitutransformationofTONsilicazeoliteintothelessdenseITW:structure-directionovercomingframeworkinstabilityinthesynthesisofSiO\s\do5(2)-zeolites.JournaloftheAmericanChemicalSociety132(2010)3461–3471.DOI:10.1021/ja9094318A. Rimola, C.M. Zicovich-Wilson, R. Dovesi, and P. Ugliengo. Search andcharacterization of transition state structures in crystalline systems using valencecoordinates. JournalofChemicalTheoryandComputation6 (2010)1341–1350,DOI:10.1021/ct900680fB.Civalleri,R.Orlando,C.M.Zicovich-Wilson,C.Roetti,V.R.Saunders,C.Pisani,andR. Dovesi. CommentonAccurateHartree-Fock energyof extended systemsusing largeGaussianbasissets.PhysicalReviewB81(2010)106101.B. Civalleri, L. Maschio, P. Ugliengo, and C.M. Zicovich-Wilson. Role of dispersiveinteractionsintheCOadsorptiononMgO(001):periodicB3LYPcalculationsaugmentedwithanempiricaldispersionterm.Phys.Chem.Chem.Phys.12(2010)6382–6386.DOI:10.1039/c001192dC.M. Zicovich-Wilson and A. Erba.Afundamentalconnectionbetweensymmetryandspatial localization properties of basis sets. Theor. Chem. Acc. 126 (2010) 165. DOI10.1007/s00214-009-0619-8A.M.Walker,B.Civalleri,B.Slater,C.Mellot-Draznieks,F.Corà,C.M.Zicovich-Wilson,G. Román-Pérez, J.M. Soler, and J.D. Gale. Flexibility in a metal-organic frameworkmaterialcontrolledbyweakdispersionforces:ThebistabilityofMIL-53(al).AngewandteChemieInt.Ed.49(2010)7501–7503.DOI:10.1002/anie.201002413A.M.Ferrari,D.Szieberth,C.M.Zicovich-Wilson,andR.Demichelis.Anatase(001)3MLnanotubes, the first TiO\s\do5(2) nanotube with negative strain energies: A DFTprediction.JournalofPhysicalChemistryLetters1(2010)2854–2857.L. Gómez-Hortigüela, G.Sankar, F.Corà, C.M. Zicovich-Wilson, and C.R.A. Catlow.Catalytic reaction mechanism of Mn-doped nanoporous aluminophosphates for theaerobicoxidationofhydrocarbons. Chem. European Journal16 (2010) 13638–13645.DOI:10.1002/chem.2010018762011

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C. Rummel, E. Abela,M.Müller,M. Hauf, O. Scheidegger, R.Wiest, and K. Schindler.Uniform approach to linear and nonlinear interrelation patterns in multivariate timeseries.PhysicalReviewE83(2011)6621.M. Müller, G. Baier, Y. Lopez Jiménez, A.O. Marín García, C. Rummel, K. Schindler,Evolutionofgenuinecross-correlationstrengthoffocalonsetseizures,J.ClinicalNeurophysiology28(2011)450.U.C. Lee,M.Müller, G-J.Noh,B. Choi,G.A.Mashour.Dissociablenetworkpropertiesofanestheticstatetransitions,Anesthesiology114(2011)872.M.E.Mora-Ramos,M.G. Barseghyan, C.A. Duque.ExcitonsincylindricalGaAsPöschl-Tellerquantumdot.PhysicaStatusSolidiB248(2011)1412-1419.J.Escorcia-García,C.A.Duque,M.E.Mora-Ramos.Opticalpropertiesofhybridperiodic/quasiregulardielectricmultilayers.SuperlatticesandMicrostructures49(2011)203-208.C.M.Duque,M.E.Mora-Ramos,C.A.Duque.Hydrostaticpressureandelectricfieldeffectsandnonlinear optical rectification of confined excitons in spherical quantumdots. SuperlatticesandMicrostructures49(2011)264-268.E.Tangarife,M.E.Mora-Ramos,C.A.Duque.Donorimpuritystatesincoupledquantumwellwiresunderhydrostaticpressureandappliedelectricfield.SuperlatticesandMicrostructures49(2011)275-278.C.M.Duque,M.E.Mora-Ramos,C.A.Duque.Effectsofhydrostaticpressureandelectricfieldonthenonlinearopticalrectificationofstronglyconfinedelectron-holepairsinGaAsquantumdots.PhysicaE43(2011)1002-1006.R.L. Restrepo, G.L. Miranda, C.A. Duque, M.E. Mora-Ramos. Simultaneous effects ofhydrostaticpressureandappliedelectric fieldon impurity-relatedself-polarization inGaAs/Ga1-xAlxAsmultiplequantumwells.JournalLuminescence131(2011)1016-1021.I.Karabulut,M.E.Mora-Ramos,C.A.Duque.Nonlinearopticalrectificationandopticalabsorption in GaAs–Ga1-xAlxAs asymmetric double quantum wells: Combined effects ofappliedelectricandmagneticfieldsandhydrostaticpressure. Journal ofLuminescence131(2011)1502-1509.C.A. Duque,M. E. Mora-Ramos, E. Kasapoglu, H. Sari, I. Sokmen. Intense laser fieldeffectonimpuritystatesinasemiconductorquantumwell:transitionfromthesingletodoublequantumwellpotential.EuropeanPhysicalJournalB81(2011)441-449.C.A.Duque,M.E.Mora-Ramos,M.G. Barseghyan. ElectronicstatesinaPöschl–Teller-like quantum well: Combined effects of electric field, hydrostatic pressure, andtemperature.SuperlatticesandMicrostructures50(2011)480-490.C.M.Duque,M.E.Mora-Ramos,C.A.Duque.Simultaneouseffectsofelectron-holecorrelation,hydrostatic pressure, and temperature on the third harmonic generation in parabolic GaAs quantum dots.JournalofNanoparticleResearch13(2011)6103-6112.

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M.G. Barseghyan, M.E. Mora-Ramos, C.A. Duque. Hydrostatic pressure, impurityposition and electric and magnetic field effects on the binding energy and photo-ionizationcrosssectionofahydrogenicdonorimpurityinanInAsPöschl-Tellerquantumring.EuropeanPhysicalJournalB84(2011)265-271.A.Ramírez-Solís,M.Ho,J.Hernández-Cobos,andI.Ortega-Blake.Theoreticalstudy of the triply hydrogen bonded As(OH)3-H2O complex: Interaction energy andtopologicalanalysisoftheelectronicdensity. Computational andTheoreticalChemistry967(2011)44.A. Ramírez-Solís, F. Jolibois, L. Maron. Born–Oppenheimer DFTmolecular dynamicsstudiesofS2O2:Non-harmoniceffectsonthelowestenergyisomers.ChemicalPhysicsLetters510(2011)21-26.DOI:0.1016/j.cplett.2011.04.091L. Castro, A. Dommergue, A, Renard, C. Ferrari, A. Ramírez-Solís and L. Maron.Theoretical investigation of the solvation of HgCl2 and HgCl3-. DFT studies of HgCl2-(H2O)nviastepwisehydrationupton=24.Phys.Chem.Chem.Phys.13 (2011)16772–16779(2011).DOI:10.1039/c1cp22154j.J.I.Amaro-Estrada,A.Scemama,M.CaffarelandA.Ramírez-Solís.OnthestabilityofBe3:AbenchmarkCASSCF+AQCCstudy.JournalofChemicalPhysics135(2011)104311.F.Vázquez,M.A.Olivares-Robles,S.Medina.Sizeeffectsontheentropyproductioninoscillatoryflowbetweenparallelplates,Entropy13(2011)542-553.J.Graciani,AM.Márquez,JJ.Plata,Y.Ortega,NC.Hernández,A.Meyer,C.M.Zicovich-Wilson, and J.Fdez. Sanz. Comparative study on the performance of hybrid DFTfunctionals in highly correlated oxides: The case of CeO\s\do5(2) andCe\s\do5(2)O\s\do5(3).JournalofChemicalTheory&Comput.7(2011)56–65.R.Colle,G.Grosso,A.Ronzani,andC.M.Zicovich-Wilson.Structureandx-rayspectrumofcrystallinepoly(3-hexylthiophene)fromDFT-vanderWaalscalculations. Phys. StatusSolidiB248(2011)1360–1368.DOI:10.1002/pssb.201046429R.Dovesi, M.DeLa Pierre, A.M. Ferrari, F.Pascale, L.Maschio, and C.M. Zicovich-Wilson. The IR vibrational properties of six members of the garnet family: acomprehensivestudywiththeperiodicCRYSTALcode.Am.Mineral.96(2011)1787–1798.E.Martínez-MoralesandC.M.Zicovich-Wilson.Adjustingframeworkionicitytofavourcrystallisation of zeolites with strained structural units. Periodic quantum chemicalstudies.Catal.Sci.Tech.1(2011)868–878.DOI:10.1039/c1cy00010aG. Fernández-Catá, H. Comas-Rojas, A. Pérez-Gramatges, C.M. Zicovich-Wilson, LJÁlvarez, andC. Searle. Initialstructureofcetyltrimethylammoniumbromidemicellesinaqueoussolutionfrommoleculardynamicssimulations.SoftMatter7(2011)8508–8515.R. Demichelis, Y. Noël, Ph. D’Arco, M. Rérat, C.M. Zicovich-Wilson, and R. Dovesi.Properties of carbonnanotubes: An ab initio study using large gaussian basis sets andvariousdftfunctionals.JournalofPhysicalChemistryC115(2011)8876–8885.

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R.Demichelis,Y.Noël,P.Ugliengo,C.M.Zicovich-Wilson,andR.Dovesi.Physico-chemical features of aluminum hydroxides as modeled with the hybrid B3LYPfunctionalandlocalizedbasisfunctions.JournalofPhysicalChemistryC115(2011)13107–13134.2012R.Salgado-Garcia.ResonantResponseinNon-EquilibriumSteadyStates.PhysicalReviewE85(2012)051130.H.Martínez,T.Buhse,M.Rivera,G.Ayala,P.Parmananda,J.Sánchez.Effect of the Volume-to-Surface Ratio of Cultures on Escherichia coli Growth: AnExperimentalandTheoreticalAnalysis,Curr.Microbiol.65(2012)60-65.H.Martínez,T.Buhse,M.Rivera,G.Ayala,P.Parmananda,J.Sánchez.EndogenousCO2may inhibitbacterialgrowthand inducevirulencegeneexpression inenteropathogenicEscherichiacoli,MicrobialPathogenesis53(2012)49-55.U.C. Lee, H.S. Lee, M. Müller, G.J. Noh, G.A. Mashour, Genuine and spurious phasesynchronizationstrengthduringconsciousnessandgeneralanesthesia.PlosOne7(2012)1.J.C.Martínez-Orozco,M.E.Mora-Ramos, C.A.Duque.ThenonlinearopticalabsorptionandcorrectionstotherefractiveindexinaGaAsn-typedelta-dopedfieldeffecttransistorunderhydrostaticressure.PhysicaStatusSolidiB249(2012)146. J.C. Martínez-Orozco, M.E. Mora-Ramos, C.A. Duque. Nonlinear optical rectification andsecond and third harmonic generation in GaAs systems under hydrostatic pressure.JournalofLuminescence132(2012)449-456.C.A.Duque,M.E.Mora-Ramos,E.Kasapoglu,H.Sari,I.Sökmen.CombinedeffectsofintenselaserfieldandappliedelectricfieldonexcitonstatesinGaAsquantumwells:Transitionfromthesingletodoublequantumwell.Physica Status Solidi B 249 (2012) 118-127.M.E.Mora-Ramos,C.A.Duque,E.Kasapoglu,H.Sari,I.Sökmen.Linearandnonlinearopticalpropertiesinasemiconductorquantumwellunderintenselaserradiation:Effectsofappliedelectromagneticfields.JournalofLuminescence132(2012)901-913.M.E.Mora-Ramos,C.A.Duque.ExcitonsincylindricalGaAs-Ga1-xAlxAsquantumdotsunderappliedelectricfield.PhysicaB407(2012)2351-2357.M.E.Mora-Ramos,C.A.Duque,E.Kasapoglu,H.Sari,I.Sökmen,S.Sakiroglu,F.Ungan,U.Yesilgul.Nonlinearopticalrectificationandthesecondandthirdharmonicgenerationin Pöschl–Teller quantum well under the intense laser field. Physics Letters A 376(2012)1875-1880. M.G. Barseghyan, A. Hakimyfard, A. Kirakosyan, M.E. Mora-Ramos, C.A. Duque.Hydrostaticpressure,andelectricandmagnetic fieldeffectson thebindingenergyofahydrogenicdonorimpurityinanInAsPöschl-Tellerquantumring.SuperlatticesandMicrostructures51(2012)119-127.

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M.E.Mora-Ramos,L.M.Gaggero-Sager,C.A.Duque.BindingenergyofadonorimpurityinGaAsdelta-dopedsystemsunderelectricandmagneticfields,andhydrostaticpressure.PhysicaE44(2012)1335-1341.G.L. Miranda, M.E. Mora-Ramos, C.A. Duque. Exciton-related energies of the 1s-likestatesofexcitonsinGaAs-AlxGa1-xAsdoublequantumwells.JournalofLuminescence132(2012)2525-2530.S.Y. López,M.E. Mora-Ramos, C.A. Duque. Nonlinear optical absorption and opticalrectificationinnear-surfacedoublequantumwells:combinedeffectofelectric,magneticfieldsandhydrostaticpressure.OpticalandQuantumElectronics44(2012)355-372.C.A. Duque,M.E. Mora-Ramos. The two-dimensional square and triangular photoniclatticeundertheeffectsofmagneticfield,hydrostaticpressureandtemperature.OpticalandQuantumElectronics44(2012)375-392.C.M.Duque,M.E.Mora-Ramos,C.A.Duque.Quantumdiscplusinversesquarepotential.An analytical model for two-dimensional quantum rings: Study of nonlinear opticalproperties.AnnalenderPhysik524(2012)327-337.R.E.Acosta,A.Zapata,C.A.Duque,M.E.Mora-Ramos.Electricfieldeffectsonexcitonsincylindrical quantum dots with symmetric axial potential. Influence on the nonlinearopticalproperties.PhysicaE44(2012)1936-1944.M.E.Mora-Ramos, C. A.Duque, E. Kasapoglu,H. Sari, I. Sokmen. StudyofdirectandindirectexcitonstatesinGaAs-Ga1-xAlxAsquantumdotsundertheeffectsofintenselaserfieldandappliedelectricfield.EuropeanPhysicalJournalB85(2012)312.K.S. Pérez, J.O. Estévez, A. Méndez-Blas, J. Arriaga, G. Palestino,M.E. Mora-Ramos.Tunable resonance transmission modes in hybrid heterostructures based on poroussilicon.NanoscaleResearchLetters7(2012)392.C.M.Duque,M.E.Mora-Ramos,C.A.Duque.ExcitonpropertiesinzincblendeInGaN-GaNquantumwellsundertheeffectsofintenselaserfields.NanoscaleResearchLetters7(2012)492.A.Zapata,R.E.Acosta,M.E.Mora-Ramos,C.A.Duque.Exciton-relatednonlinearopticalpropertiesincylindricalquantumdotswithasymmetricaxialpotential:combinedeffectsofhydrostaticpressure,intenselaserfield,andappliedelectricfield.NanoscaleResearchLetters7(2012)508.M.G.Barseghyan,R.L.Restrepo,M.E.Mora-Ramos,A.Kirakosyan,C.A.Duque.Donor impurity-related linear and nonlinear intraband optical absorption coefficients inquantumring:effectsofappliedelectricfieldandhydrostaticpressure.NanoscaleResearchLetters7(2012)538.C.M.Duque,M.E.Mora-Ramos,C.A.Duque.On-centerdonorimpurity-relatednonlinearcorrections to optical absorption and refractive index in a two-dimensional quantumring.OpticsCommunications285(2012)5456-5461.

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C.M. Duque,M.E. Mora-Ramos, C.A. Duque. Pressure and temperature effects on thethird-ordernonlinearopticalpropertiesinGaAsquantumdots.PhysicaB407(2012)4773-4776.U.Yesilgul,F.Ungan,S,Şakiroglu,C.A.Duque,M.E.Mora-Ramos,E.Kasapoglu,H.Sari, I,Sökmen.TheeffectofmagneticfieldonimpuritybindingenergyofshallowdonorimpuritiesinaGa1-xInxNyAs1-y/GaAsquantumwell.NanoscaleRes.Lett.7(2012)586.G.Rodríguez-Arellano,D.P.Juárez-López,J.Madrigal-Melchor,R.Pérez-Álvarez,J.C.Martínez-OrozcoandI.Rodríguez-Vargas,TransmissionpropertiesofmultilayeredPeriod-DoublingandSilver-Meangraphenestructures.MaterialsResearchSymposiumProceedings1371(2012)143.DOI:10.1557/opl.2012.171.128.D.G.Santiago-Pérez,C.Trallero-Giner,R.Pérez-Álvarez,L.Chico,R.Baquero,andG.E.Marques,Uncoupledopticalphononsincore/shellGaAs/GaPnanowires:Straineffects,J.Appl.Phys.112(2012)084322.J.Hernández-Cobos,A.Ramírez-Solís,L.MaronandI.Ortega-Blake.TheoreticalstudyoftheaqueoussolvationofHgCl2.MonteCarlosimulationsusingMP2-derivedflexiblepolarizableinteractionpotentials.JournalofChemicalPhysics136(2012)014502.A.Ramírez-Solís,M.Ho,J.Hernández-Cobos,andI.Ortega-Blake.Theoretical study of the triply hydrogen bonded X(OH)3-H2O complexes (X=N,P,Sb).Interactionenergiesandtopologicalanalysisoftheelectronicdensity.ChemicalPhysicsLetters524(2012)20.A.Ramírez-SolísandL.Maron.Non-harmoniceffectsvibrationaleffectsinHgClOH:anMP2Born-Oppenheimermolecular dynamics study. International Journal of QuantumChemistry112(2012)3484-3489.DOI:10.1002/qua.24123.A. Ramírez-Solís and O. Novaro. Nonadditive Effects on the Stability of Be3: ABenchmarkCASSCF+AveragedQuadraticCoupledClusterStudyof theEquilateralandLinearSymmetricalConfigurations. International Journal ofQuantumChemistry 112(2012)2952–2956.DOI:10.1002/qua.24140A.Ramírez-Solís.TheelectronicspectrumofAgBr2:Abinitiobenchmarkcalculationsonthe2Πuand2Σu+chargetransferstatesincludingspin-orbiteffects. International JournalofQuantumChemistry112(2012)3535-3542.DOI:10.1002/qua.24183A. Ramírez-Solís and O. Novaro. The First Metals in Mendeleiev's Table: furtherargumentstoplaceHeaboveNeandnotaboveBe.FoundationsofChemistry14(2012)71.DOI:10.1007/s10698-012-9174-9.A.Ramírez-Solís.ThestructureofAgBr2andAgBr2+.AbenchmarkCASSCF,CASPT2andACPFstudy. InternationalJournalofQuantumChemistry112(2012)3559-3563.DOI:10.1002/qua.24167.

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M.A.Olivares-Robles,F.Vázquez,C.Ramírez-López.Optimizationoftwo-stagePeltiermodules:structureandexergeticefficiency.Entropy14(2012)1539-1552.F.Vázquez,J.A.delRío.Thermodynamiccharacterizationofthediffusivetransporttowavepropagationtransitioninheatconductingthinfilms.JournalofAppliedPhysics112(2012)123707.F.B. Yousif and A.B.Mondragon.AnInvestigationintoElectronTemperature,NumberdensityandOpticalEmissionSpectroscopyoftheDCHollowCathodePlasmaDischargeinN2O.IEEETransactionsonPlasmaScience40(2012)1715-1723.Y.Noël,M.DeLaPierre,L.Maschio,M.Rérat,C.M.Zicovich-Wilson,andR.Dovesi.Theelectronic structure, dielectric properties and infrared vibrational spectrumof fayalite:anabinitiosimulationwithanall-electronGaussianbasissetandtheB3LYPfunctional.IntJ.QuantumChem.112(2012)2098–2108.DOI:10.1002/qua.23195J.C. Tan, B. Civalleri, C-C Lin, L. Valenzano,R. Galvelis, PF Chen, T. Bennet, C.Mellot-Draznieks, C.M. Zicovich-Wilson, and A.K. Cheetham. Elasticity of sodalite ZIF8: ametal-organicframeworkmaterialwithanexceptionallylowshearmodulus.PhysicalReviewLetters108(2012)095502.A.Rojas,E.Martìnez-Morales,C.M.Zicovich-Wilson,andM.A.Camblor.Zeolite synthesis in fluoride media: Structure direction by small methylimidazoliumcations.J.AmericanChemicalSociety134(2012)2255–2263.C.M. Zicovich-Wilson and A. Erba. BeyondWigner’s theorems: the role of symmetryequivalencesinquantumsystems. Int. J.QuantumChem.112 (2012)3543–3551.DOI:10.1002/qua.24184J.Aguilar-Pliego, P.Bosch, C.M.Zicovich-Wilson, G.Herrera-Pérez, and V.H. Lara.Onthree-fold coordinated Si sites in mesoporous MCM-41 catalysts. The Open CatalysisJournal5(2012)50–55.C.M.Zicovich-Wilson,Y.Noël,A.M.Ferrari,R.Orlando,M.DeLaPierre,andR.Dovesi.On theuse of symmetry in SCF calculations. The case of fullerenes andnanotubes. AIPConf.Proc.1456(2012)248–255.

2013F.Montoya,M.Rivera,J.Escalona,P.Parmananda,ConstructionofArnoldtonguestructuresforcoupledperiodicoscillators.PhysicsLett.A377(2013)3124–3127.C. Maldonado and R. Salgado-García.Markov approximations of Gibbsmeasures forlong-rangeinteractionson1Dlattices.JournalofStatisticalMechanicsandExperiments,P08012(2013).DOI:10.1088/1742-5468/2013/08/P08012R. Salgado-García and E. Ugalde. Exact scaling in theexpansion-modification system.JournalofStatisticalPhysics153(2013)842-863.R. Salgado-García and C. Maldonado. Normal-to-anomalous diffusion transition indisorderedcorrelatedpotentials:Fromthecentrallimittheoremtostablelaws.PhysicalReviewE88(2013)062143.

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T. Mandal, T. Singla, M. Rivera, and P. Parmananda, Conjugate feedback inducedsuppression and generation of oscillations in the Chua circuit: Experiments andsimulations.Chaos23(2013)013130.A.B.Mondragón,J.Rodriguez-Legorreta,F.B.Yousif,B.E.Fuentes,H.MartínezValencia,andM.A.Rivera-Islas.ElectronegativityofhollowcathodeDCdischargeinO2employingelectrostaticprobediagnostics.IEEETransactionsonPlasmaScience41(2013)2387.A.O. Marín García, M. Müller, K. Schindler, C. Rummel, Genuine cross-correlations:whichsurrogate-basedmeasuresreproducesanalyticalresultsbest?NeuralNetworks45(2013)154.H.Gast,M.Müller,C.Rummel,C.Roth,J.Mathis,K.Schindler,C.Bassetti.Epileptic seizures as condensed sleep: an analysis of network dynamics fromelectroencephalogramsignals.J.SleepResearch(2013),doi:10.1111/jsr.12113.G.L. Miranda,M.E. Mora-Ramos, C.A. Duque. Exciton-relatednonlinearopticalabsorptionandrefractiveindexchangeinGaAs-AlxGa1-xAsdoublequantumwells.PhysicaB409(2013)78-82.C.A. Duque,M.E.Mora-Ramos.Electronstatesandrelatedopticalresponsesinasymmetricinverseparabolicquantumwells.SuperlatticesandMicrostructures54(2013)61-70.M.E. Mora-Ramos, C. A. Duque, E. Kasapoglu, H. Sari, I. Sökmen. Electron-relatednonlinearitiesinGaAs-Ga1-xAlxAsdoublequantumwellsundertheeffectsofintenselaserfieldandappliedelectricfield.JournalofLuminescence135(2013)301-311.C.M.Duque,M.E.Mora-Ramos,C.A.Duque.Propertiesofthesecondandthirdharmonicgeneration in a quantum discwith inverse square potential. Amodeling for nonlinearopticalresponsesofaquantumring.JournalofLuminescence138(2013)53-60.M.E. Mora-Ramos, C.A. Duque. Exciton states in GaAs delta-doped systems undermagneticfieldsandhydrostaticpressure.PhysicaB415(2013)72-76.G.L.Miranda,M.E.Mora-Ramos,C.A.Duque.Nonlinearopticalrectificationassociatedtoexcitonstatesinasymmetriccoupleddoublequantumwells.PhysicaE50(2013)108-115.R.L.Restrepo,M.G.Barseghyan,M.E.Mora-Ramos,C.A.Duque.EffectofhydrostaticpressureonthenonlinearopticalpropertiesofadonorimpurityinaGaAsquantumring.PhysicaE51(2013)48-54.C.M. Duque, A.L. Morales, M.E. Mora-Ramos, C.A. Duque. Optical nonlinearitiesassociatedtoappliedelectricfieldsinparabolictwo-dimensionalquantumrings. JournalofLuminescence143(2013)81-88.C.A.Duque,M.E.Mora-Ramos,E.Kasapoglu,F.Ungan,U.Yesigul,S.Sakiroglu,H.Sari,I.Sökmen. Impurity-related linearandnonlinearoptical response inquantum-wellwireswithtriangularcrosssection.JournalofLuminescence143(2013)304.

Page 16: DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. … · DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. Rendón-Mancha, M.A. García, A. Cárdenas, B. Lara and Emilio González

J.G.Rojas-Briseño, J.C.Martínez-Orozco, I.Rodríguez-Vargas, M.E.Mora-Ramos, C.A.Duque. Nonlinear absorption coefficient and relative refraction index change for anasymmetrical double δ-doped quantumwell in GaAswith a Schottky barrier potential.PhysicaB424(2013)13-19.J.Escorcia-García, M.E. Mora-Ramos. Propagation and confinement of electric fieldwaves along one-dimensional porous silicon hybrid periodic/quasiperiodic structure.OpticsandPhotonicsJournal3(2013)1-12.H.A.Gómez-Urrea,M.Toledo-Solano,M.E.Mora-Ramos,E.Reyes-Gómez.Propertiesofplasmon-polariton modes in one-dimensional photonic superlattices made of Rudin-Shapirobases.OpticalandQuantumElectronics45(2013)813-828.F.Ungan,U.Yesilgul,S.Sakiroglu,M.E.Mora-Ramos,C.A.Duque,H.Sari,I.Sökmen,E.Kasapoglu. Simultaneous effects of hydrostatic pressure and temperature on thenonlinearopticalpropertiesinaparabolicquantumwellunderintenselaserfield.OpticsCommunications309(2013)158-162.J.I.Amaro-EstradaandA.Ramírez-Solís.AqueousmicrosolvationofHgClOH.SystematicstudiesoftheHgClOH-(H2O)nspecieswithn=1-4.ComputationalandTheoreticalChemistry1006(2013)47-51.M.Ho,A.Navarrete-López,C.Zicovich-WilsonandA.Ramírez-Solís.Electronic charge density analysis of Li-doped polyacetylene: Molecular vs. periodicdescriptionsandnatureofLi-to-chainbonding.JournalofPhysicalChemistryB117(2013)725-730.A.Ochoa-Calle,R.Hernández-LamonedaandA.Ramírez-Solís.On the stability of the cuboid singlet (S2)4 supermolecule. Benchmark ab initio studies.JournalofChemicalPhysics138(2013)094317.DOI:10.1063/1.4793310.J.I.Amaro-Estrada,L.MaronandA.Ramírez-Solís.AqueoussolvationofHg(OH)2.AdensityfunctionaltheorystudyoftheHg(OH)2–(H2O)n(n=1-24)structures.JournalofPhysicalChemistryA117(2013)9069-9075.O. Sotolongo-Grau, D. Rodríguez, O. Sotolongo-Costa, J.C. Antoranz. Tsallis entropyapproach to radiotherapy treatments.. Physica A: Statistical Mechanics andApplications392(2013)2007.DOI:10.1016/j.physa.2013.01.020.A.FigueroaandF.Vázquez.Spectralandfinitedifferencesolutionsofthehyperbolicheattransportequationforthermoelectricthinfilms.AppliedMathematics4(2013)22-27.F.B.Alarcón,H.Martínez,B.E.Fuentes,F.B.Yousif.K+chargetransferinH2atlowkeVcollisions.PhysicaScripta88(2013)025304.A.B.Mondragón,J.Rodríguez,F.B.Yousif,B.E.Fuentes,H.Martínez.Electronegativityofhollow cathode DC discharge in O2 employing electrostatic probe diagnostics. IEEETransactionsonPlasmaScience41(2013)2387-2393.

Page 17: DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. … · DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. Rendón-Mancha, M.A. García, A. Cárdenas, B. Lara and Emilio González

S. Sene,M.Reinholdt, G. Renaudin,D. Berthomieu,C.M.Zicovich-Wilson, C. Gervais,Ph.Gaveau,Ch.Bonhomme,Y. Filinchuk,M.E. Smith, J-MNedelec, S.Bégu,P.Hubert-Mutin, and D. Laurencin. Boronate ligands in materials: Determining their localenvironment by using a combination of IR/Solid-State NMR spectroscopies and DFTcalculations.Chem.Eur.J.19(2013)880–891.DOI:10.1002/chem.201203560M.Hô,A.M.Navarrete-López,C.M.Zicovich-Wilson,andA.Ramírez-Solís.ElectronicchargedensityanalysisofLi-dopedpolyacetylene:MolecularvsperiodicdescriptionsandnatureofLi-to-chainbonding.JournalofPhysicalChemistryB117(2013)725-730.A.Rojas,M.L.San-Román,C.M.Zicovich-Wilson,andM.A.Camblor.Host-gueststabilizationofazeolitestrainedframework:InsitutransformationofzeoliteMTWintothelessdenseandmorestrainedITW.ChemistryofMaterials25(2013)729–738.K.E.El-Kelany,M.Ferrabone,M.Rérat,Ph.Carbonnière,C.M.Zicovich-Wilson,andR.Dovesi. The electronic structure of MgO nanotubes. an ab initio quantummechanicalinvestigation.Phys.Chem.Chem.Phys.15(2013)13296–13303.L.Maschio,B.Kirtman, S. Salustro,C.M.Zicovich-Wilson, R.Orlando, andR.Dovesi.Raman spectrum of pyrope garnet. a quantum mechanical simulation of frequencies,intensities, and isotope shifts. Journal of Physical Chemistry A 117 (2013) 11464–11471.DOI:10.1021/jp40994462014M.Müller,C.Rumel.M.Goodfellow,K.Schindler.StandingwavesasanexplanationforgenericstationarycorrelationpatternsinnoninvasiveEEGoffocalonsetseizures. BrainConnectivity4(2014)131-144.R.Salgado-Garcia.Effectivediffusioncoefficientintilteddisorderedpotentials:Optimalrelativediffusivityatafinitetemperature.PhysicalReviewE90(2014)032105.U. Yesilgul, F. Ungan, S. Sakiroglu,M.E.Mora-Ramos, C.A.Duque, E. Kasapoglu,H.Sari, I. Sökmen.Effectof intensehigh-frequency laser fieldon the linearandnonlinearintersubbandopticalabsorptioncoefficientsandrefractiveindexchangesinaparabolicquantumwellundertheappliedelectricfield.JournalofLuminescence145(2014)379-386.H. M. Baghramyan, M. G. Barseghyan, A. A. Kirakosyan, R. L. Restrepo,M.E. Mora-Ramos, C.A. Duque. Donor impurity-related linear and nonlinear intraband opticalabsorption coefficients in GaAs/Ga1-xAlxAs concentric double quantum rings: effects ofgeometry,hydrostaticpressure,andaluminumconcentration.JournalofLuminescence145(2014)676-683.K.A. Rodríguez-Magdaleno, J.C. Martínez-Orozco, I. Rodríguez-Vargas, M.E. Mora-Ramos,C.A.Duque.AsymmetricGaAsn-typedoubleδ-dopedquantumwellsasasourceof intersubband-related nonlinear optical response: Effects of an applied electric field.JournalofLuminescence147(2014)77-84.

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F. Ungan, R.L. Restrepo,M.E. Mora-Ramos, A.L. Morales, C.A. Duque. Intersubbandoptical absorption coefficients and refractive index changes in a graded quantumwellunder intense laserfield:Effectsofhydrostaticpressure, temperatureandelectricfield.PhysicaB434(2014)26-31.F.Ungan,M.E.Mora-Ramos,C.A.Duque,E.Kasapoglu,H.Sari, I.Sökmen.Linearandnonlinear optical properties in a double inverse parabolic quantumwell under electricandmagneticfields.SuperlatticesandMicrostructures66(2014)129-135.M.Toledo-Solano,M.E.Mora-Ramos,A.Figueroa,Y.Rubo.Warpingandinteractionsofvorticesinexciton-polaritoncondensates.PhysicalReviewB89(2014)035308.M.R.Fulla,J.H.Marín,W.Gutiérrez,M.E.Mora-Ramos,C.A.Duque.Essentialpropertiesof a molecular complex confined in ring-like nanostructures under external probes:Magneticfieldsandhydrostaticpressure.SuperlatticesMicrostruct.67(2014)207-220.G. Rojas-Briseño, J.C. Martínez-Orozco, I. Rodríguez-Vargas,M.E. Mora-Ramos, C.A.Duque. Nonlinear optical properties in an asymmetric double d-doped quantum wellwithaSchottkybarrier:Electricfieldeffects.PhysicaStat.SolidiB251(2014)415-422.A.L.Morales,M.E.Mora-Ramos,C.A.Duque.Nonlinearopticalrectificationandsecondharmonicgenerationin2D-quantumringsunderelectricfieldandmagneticfields. ActaPhysicaPolonicaA125(2014)195-197.C.A.Duque,M.E.Mora-Ramos,U.Yesilgul,F.Ungan,S.Sakiroglu,E.Kasapoglu,H.Sari,I.Sökmen.Intenselaserfieldeffectsontheshallow-donorimpuritystatesinrectangular-shapedquantumwellwires.ActaPhysicaPolonicaA125(2014)198-201.M.E.Mora-Ramos, A.L. Morales, C.A. Duque.Optical responses inasymmetric inverseparabolic quantum wells: Effects of intense laser field and hydrostatic pressure. ActaPhysicaPolonicaA125(2014)202-204.M.R-Fulla, J.H.Marín,D.Londoño,C.A.Duque,M.E.Mora-Ramos,Double-donorenergystructure in concentric quantum rings under magnetic field and hydrostatic pressure.ActaPhysicaPolonicaA125(2014)220-223.M.R. Fulla, J.H. Marín, W. Gutiérrez, M.E. Mora-Ramos, C.A. Duque. D2+molecularcomplex in ring-like nanostructures: hydrostatic pressure and electro-magnetic fieldeffects.ActaPhysicaPolonicaA125(2014)241-244R.L. Restrepo, J.C. Martínez-Orozco, M. Barseghyan,M.E. Mora-Ramos, C.A. Duque.Impurity-relatednonlinearopticalabsorptionindelta-dopedquantumring.ActaPhysicaPolonicaA125(2014)245-247.A. Tiutiunnyk, V. Tulupenko,M. E. Mora-Ramos, E. Kasapoglu, F. Ungan, H. Sari, I.Sökmen, C. A. Duque. Electron-related optical responses in triangular quantum dots.PhysicaE60(2014)127-132.E.Kasapoglu,F.Ungan,C.A.Duque,U.Yesilgul,M.E.Mora-Ramos,H.Sari, I.Sökmen.Theeffectsofelectricandmagneticfieldsonthenonlinearopticalpropertiesinthestep-likeasymmetricquantumwell.PhysicaE61(2014)107-110.

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J.D. Correa-Abad,M.E. Mora-Ramos, C.A. Duque. Donor impurity states and relatedterahertzrangenonlinearopticalresponseinGaNcylindricalquantumwires:Effectsofexternalelectricandmagneticfields.JournalofAppliedPhysics115(2014)213105.J.C. Martínez-Orozco, M.E. Mora-Ramos, C.A. Duque. Electron-related linear andnonlinearopticalresponsesinverticallycoupledtriangularquantumdots.PhysicaB452(2014)82-91.E. Kasapoglu, F. Ungan, H. Sari, I. Sökmen,M.E. Mora-Ramos, C.A. Duque. Donorimpuritystatesandrelatedopticalresponsesintriangularquantumdotsunderappliedelectricfield.SuperlatticesandMicrostructures73(2014)171-184.M.R-Fulla, J.H. Marín. Y.A. Suaza, C.A. Duque,M.E.Mora-Ramos. Statesofanon-axistwo-hydrogenic-impuritycomplexinconcentricdoublequantumrings.PhysicsLettersA378(2014)2297-2302.C.M. Duque, A. L. Morales,M.E.Mora-Ramos, C.A. Duque. Exciton-relatednonlinearoptical response and photoluminescence in dilute nitrogen InxGa1-xNyAs1-y/GaAscylindricallyshapedquantumdots.JournalofLuminescence154(2014)559-568.

R.L.Restrepo,J.C.Martínez-Orozco,M.G.Barseghyan,A.L.Morales,M.E.Mora-Ramos,C.A.Duque.Impurity-relatednonlinearopticalpropertiesindelta-dopedquantumrings:electricfieldeffects.PhysicaB453(2014)140-145.D.G. Santiago-Pérez, C. Trallero-Giner, R. Pérez-Álvarez, and L. Chico, Polar opticalphonons in core-shell semiconductornanowires. Physica E: Low-dimensional SystemsandNanostructures56(2014)151-159.Z.Lazcano,P.L.Valdés-Negrín,D.Villegas, J.ArriagaandR.Pérez-Álvarez,TunnelingtimesofacousticphononpacketsthroughadistributedBraggreflector.NanoscaleResearchLetters9(2014)449.DOI:10.1186/1556-276X-9-449.R.Pernas-SalomónandR.Pérez-Álvarez,Sturm-LiouvilleMatrixequationforthestudyofElectromagneticplanewavespropagationinlayeredanisotropicmedia.ProgressinElectromagneticsResearchM40(2014)79-90.A.J.Ochoa-CalleandA.Ramirez-Solis.OnthestabilityofthecyclicO8molecule.ChemicalPhysicsLetters592(2014)326-329.DOI:10.1016/j.cplett.2013.12.056J.I. Amaro-Estrada, L. Maron and A. Ramírez-Solís. Aqueous solvation of HgClOH.StepwiseDFTsolvationandBorn-ppenheimermolecular.StudiesoftheHgClOH-(H2O)24complex.PhysicalChemistryChemicalPhysics16(2014)8455.DOI:10.1039/C3CP55339F.A. Ramírez-Solís.OntheAccuracyof theCompleteBasisSetextrapolation foranionicsystems:Acasestudyoftheelectronaffinityofmethane.ComputationalChemistry2(2014)31-41.DOI:10.4236/cc.2014.22005

Page 20: DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. … · DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. Rendón-Mancha, M.A. García, A. Cárdenas, B. Lara and Emilio González

A. Ramírez-Solís, R. Bernal and C. Zicovich-Wilson. The Molecular and electronicstructure of poly-[2,7-(benzo[2,1-b;3,4-b’]dithiophene)-alt-2,2’-(3,3’-didodecyl-5,5’-bithiophenyl](PBTT).AperiodicDensityFunctionalTheoryapproach.ChemicalPhysicsLetters607(2014)47-51.DOI:10.1016/j.cplett.2014.05.047.R.Morales-Nava,M. Fernández-Zertuche andA.Ramírez-Solís.NMRandTheoreticalStudies on the conformational preferences of some non-metal coordinated N-enoylsystemsattachedtocommonchiralauxilaries.J.Mex.ChemicalSociety17(2014)203.A. Ramírez-Solís and L. Maron.On the thermal stabilityof thebranchedhexasulfaneisomers.ADFTMolecularDynamicsstudyofH2S6conformers.ChemicalPhysicsLetters607(2014)64-69.DOI:10.1016/j.cplett.2014.05.028A. Ramirez-Solis and L. Maron. Aqueous solvation of CdCl2. ClusterDFT andBorn-OppenheimerMolecularDynamicsstudiesoftheCdCl2–(H2O)ncomplexes.JournalofChemicalPhysics141(2014)094304.M. Caffarel, E. Giner, A. Scemama and A. Ramírez-Solís. Spin density distribution inopen-shell transition metal systems: A comparative post-Hartree-Fock, DensityFunctionalTheoryandquantumMonteCarlostudyoftheCuCl2molecule.JournalofChemicalTheoryandComputation10(2014)5320-5330.DOI:10.1021/ct5004252O.Sotolongo-Costa.ThePhysicsofComplexSystemsinCuba.Chapter16ofTheHistoryof Physics in Cuba. Boston Studies in the Philosophy and History of Science, Vol.304. Baracca, Angelo, Renn, Jürgen, Wendt, Helge (eds.) Springer, 304, DOI10.1007/978-94-017-8041-4_16,(2014)A.Hernández-Garcia,A.Fernandez-Barbero,O.Sotolongo-Costa.Non-SteadyWall-BoundedFlowsofViscoelasticFluidsUnderPeriodicForcing.BrazilianJournalofPhysics44(2014)315-325.A. Figueroa,F.Vázquez.Optimalperformanceandentropygenerationtransitionfrommicrotonanoscaledthermoelectriclayers.InternationalJournalofHeatandMassTransfer71(2014)724-731.J. Rodríguez, F.B. Yousif, E.B. Fuentes, F. Vázquez, H. Martínez. Interpretations ofLangmuirprobedataforpositiveionnumberdensityofN2ODCplasmadischarge. IEEETransactionsonPlasmaScience42(2014)813-819.F.B. Alarcon, H. Martinez, F.B. Yousif, B.E. Fuentes. Single electron capturemeasurementsincollisionsofK+onN2.NuclearInstrumentsandMethodsB332(2014)317-325.K. Valdiviés-Cruz, A. Lam, and C.M. Zicovich-Wilson. Periodic quantum chemicalstudiesonanhydrousandhydratedacidclinoptilolite. Journal of Physical Chemistry A118(2014)5779-5789.DOI:dx.doi.org/10.1021/jp410754aR.Dovesi,R.Orlando,A.Erba,B.Civalleri,S.Casassa,C.M.Zicovich-Wilson,L.Maschio,M.Ferrabone,M.deLaPierre,Ph.D’Arco,Y.Noël,M.Causà,M.Rérat,andB.Kirtman.

Page 21: DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. … · DEPARTAMENTO DE COMPUTACION Y ROBÓTICA 2010 J. M. Rendón-Mancha, M.A. García, A. Cárdenas, B. Lara and Emilio González

CRYSTAL14:aprogramfortheabinitioinvestigationofcrystallinesolids.Int.J.QuantumChem.114(2014)1287.DOI:10.1002/qua.24658A. Ramírez-Solís, R. Bernal-Jáquez, C.M. Zicovich-Wilson, The molecular andelectronicstructureofpoly-[2,7-(benzo[2,1-b;3,4-b’]dithiophene)-alt-2,2’-(3,3’-didodecyl-5,5’-bithiophenyl)](PBTT).AperiodicDFTapproach.ChemicalPhysicsLetters607(2014)47-51.DOI:10.1016/j.cplett.2014.05.047.J. Shin, N.H. Ahn, M. Camblor, C.M. Zicovich-Wilson, S.B. Hong. Synthesis ofaluminosilicatenatrolitesandcontroloftheirtetrahedralatomordering.ChemistryofMaterials26(2014)3361.Y.Nöel,M. deLaPierre,C.M.Zicovich-Wilson, R.Orlando, andR.Dovesi.Structural,electronic and energetic properties of giant icosahedral fullerenes up to C6000. insightsfromanabinitiohybridDFTstudy.PhysicalChemicalChemistryPhysics16(2014)13390.M. de La Pierre, R. Orlando, M. Ferrabone, C.M. Zicovich-Wilson, R. Dovesi.Exploitation of symmetry in periodic Self-Consistent-Field ab initio calculations:application to large three-dimensional compounds. Science China-Chemistry 57(2014)1418-1426.DOI:10.1007/s11426-014-5191-yR.Orlando,M.DeLaPierre,C.M.Zicovich-Wilson,R.Dovesi.Onthefullexploitationofsymmetry in periodic (as well as molecular) self-consistent-field ab initio calculations.JournalofChemicalPhysics141(2014)104108.DOI:10.1063/1.4895113