VIAF

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Leader 00000nz a2200037n 45 0
001 WKP|Q59617443 (VIAF cluster) (Authority/Source Record)
003 WKP
005 20241221010725.0
008 241221nneanz||abbn n and d
035 ‎‡a (WKP)Q59617443‏
024 ‎‡a 0000-0002-2586-859X‏ ‎‡2 orcid‏
024 ‎‡a 55936423000‏ ‎‡2 scopus‏
035 ‎‡a (OCoLC)Q59617443‏
100 0 ‎‡a Manuel A Aguilar‏ ‎‡c researcher ORCID ID = 0000-0002-2586-859X‏ ‎‡9 en‏
375 ‎‡a 1‏ ‎‡2 iso5218‏
400 0 ‎‡a Manuel A Aguilar‏ ‎‡c wetenschapper‏ ‎‡9 nl‏
670 ‎‡a Author's A CASPT2//CASSCF study of vertical and adiabatic electron transitions of acrolein in water solution‏
670 ‎‡a Author's A new method to locate saddle points for reactions in solution by using the free-energy gradient method and the mean field approximation‏
670 ‎‡a Author's An ASEP/MD study of liquid chloroform‏
670 ‎‡a Author's Beyond the Continuum Approach‏
670 ‎‡a Author's Comparison of three effective Hamiltonian models of increasing complexity: Triazene in water as a test case‏
670 ‎‡a Author's Dual Fluorescence of Fluorazene in Solution: A Computational Study‏
670 ‎‡a Author's How Methylation Modifies the Photophysics of the Native All- trans-Retinal Protonated Schiff Base: A CASPT2/MD Study in Gas Phase and in Methanol‏
670 ‎‡a Author's Location of conical intersections in solution using a sequential quantum mechanics/molecular dynamics method‏
670 ‎‡a Author's On the absorption properties of the excited states of DMABN‏
670 ‎‡a Author's Retinal models: comparison of electronic absorption spectra in the gas phase and in methanol solution‏
670 ‎‡a Author's Simultaneous Solvent and Counterion Effects on the Absorption Properties of a Model of the Rhodopsin Chromophore‏
670 ‎‡a Author's Solvatochromic Shifts on Absorption and Fluorescence Bands of N,N-Dimethylaniline‏
670 ‎‡a Author's Solvent effects on internal conversions and intersystem crossings: the radiationless de-excitation of acrolein in water‏
670 ‎‡a Author's Solvent Effects on Radiative and Non-Radiative Excited State Decays‏
670 ‎‡a Author's Solvent Effects on the Absorption Spectra of the para-Coumaric Acid Chromophore in Its Different Protonation Forms‏
670 ‎‡a Author's Solvent Effects on the Low-Lying Excited States of a Model of Retinal‏
670 ‎‡a Author's Solvent Effects on the Radiative and Nonradiative Decay of a Model of the Rhodopsin Chromophore.‏
670 ‎‡a Author's Solvent Effects on the Structure and Spectroscopy of the Emitting States of 1-Phenylpyrrole‏
670 ‎‡a Author's Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodology‏
670 ‎‡a Author's Substituent and solvent effects on the UV-vis absorption spectrum of the photoactive yellow protein chromophore.‏
670 ‎‡a Author's Theoretical study of solvent effects on the ground and low-lying excited free energy surfaces of a push-pull substituted azobenzene.‏
670 ‎‡a Author's Theoretical Study of the 1,3-Hydrogen Shift of Triazene in Water‏
670 ‎‡a Author's Theoretical Study of the Competition between Intramolecular Hydrogen Bonds and Solvation in the Cys-Asn-Ser Tripeptide‏
670 ‎‡a Author's Theoretical study of the conformational equilibrium of 1,4-dioxane in gas phase, neat liquid, and dilute aqueous solutions‏
670 ‎‡a Author's Theoretical Study of the Dual Fluorescence of 4-(N,N-Dimethylamino)benzonitrile in Solution‏
670 ‎‡a Author's Theoretical Study of the Preferential Solvation Effect on the Solvatochromic Shifts of para-Nitroaniline‏
670 ‎‡a Author's Theoretical study of the relative stability of rotational conformers of alpha and beta-D-glucopyranose in gas phase and aqueous solution‏
670 ‎‡a Author's Theoretical study of the role of solvent Stark effect in electron transitions‏
670 ‎‡a Author's Use of the Average Solvent Potential Approach in the Study of Solvent Effects‏
909 ‎‡a (scopus) 55936423000‏ ‎‡9 1‏
909 ‎‡a (orcid) 000000022586859x‏ ‎‡9 1‏
919 ‎‡a theoreticalstudyoftherelativestabilityofrotationalconformersofalphaandbeta500glucopyranoseingasphaseandaqueoussolution‏ ‎‡A Theoretical study of the relative stability of rotational conformers of alpha and beta-D-glucopyranose in gas phase and aqueous solution‏ ‎‡9 1‏
919 ‎‡a theoreticalstudyofthepreferentialsolvationeffectonthesolvatochromicshiftsofparanitroaniline‏ ‎‡A Theoretical Study of the Preferential Solvation Effect on the Solvatochromic Shifts of para-Nitroaniline‏ ‎‡9 1‏
919 ‎‡a theoreticalstudyofthedualfluorescenceof4nndimethylaminobenzonitrileinsolution‏ ‎‡A Theoretical Study of the Dual Fluorescence of 4-(N,N-Dimethylamino)benzonitrile in Solution‏ ‎‡9 1‏
919 ‎‡a theoreticalstudyoftheconformationalequilibriumof14dioxaneingasphaseneatliquidanddiluteaqueoussolutions‏ ‎‡A Theoretical study of the conformational equilibrium of 1,4-dioxane in gas phase, neat liquid, and dilute aqueous solutions‏ ‎‡9 1‏
919 ‎‡a theoreticalstudyofthecompetitionbetweenintramolecularhydrogenbondsandsolvationinthecysasnsertripeptide‏ ‎‡A Theoretical Study of the Competition between Intramolecular Hydrogen Bonds and Solvation in the Cys-Asn-Ser Tripeptide‏ ‎‡9 1‏
919 ‎‡a theoreticalstudyofthe13hydrogenshiftoftriazeneinwater‏ ‎‡A Theoretical Study of the 1,3-Hydrogen Shift of Triazene in Water‏ ‎‡9 1‏
919 ‎‡a theoreticalstudyofsolventeffectsonthegroundandlowlyingexcitedfreeenergysurfacesofapushpullsubstitutedazobenzene‏ ‎‡A Theoretical study of solvent effects on the ground and low-lying excited free energy surfaces of a push-pull substituted azobenzene.‏ ‎‡9 1‏
919 ‎‡a substituentandsolventeffectsontheuvvisabsorptionspectrumofthephotoactiveyellowproteinchromophore‏ ‎‡A Substituent and solvent effects on the UV-vis absorption spectrum of the photoactive yellow protein chromophore.‏ ‎‡9 1‏
919 ‎‡a studyontheconformationalequilibriumofthealaninedipeptideinwatersolutionbyusingtheaveragedsolventelectrostaticpotentialfrommoleculardynamicsmethodology‏ ‎‡A Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodology‏ ‎‡9 1‏
919 ‎‡a solventeffectsonthestructureandspectroscopyoftheemittingstatesof1phenylpyrrole‏ ‎‡A Solvent Effects on the Structure and Spectroscopy of the Emitting States of 1-Phenylpyrrole‏ ‎‡9 1‏
919 ‎‡a solventeffectsontheradiativeandnonradiativedecayofamodeloftherhodopsinchromophore‏ ‎‡A Solvent Effects on the Radiative and Nonradiative Decay of a Model of the Rhodopsin Chromophore.‏ ‎‡9 1‏
919 ‎‡a solventeffectsonthelowlyingexcitedstatesofamodelofretinal‏ ‎‡A Solvent Effects on the Low-Lying Excited States of a Model of Retinal‏ ‎‡9 1‏
919 ‎‡a solventeffectsontheabsorptionspectraoftheparacoumaricacidchromophoreinitsdifferentprotonationforms‏ ‎‡A Solvent Effects on the Absorption Spectra of the para-Coumaric Acid Chromophore in Its Different Protonation Forms‏ ‎‡9 1‏
919 ‎‡a solventeffectsonradiativeandnonradiativeexcitedstatedecays‏ ‎‡A Solvent Effects on Radiative and Non-Radiative Excited State Decays‏ ‎‡9 1‏
919 ‎‡a solventeffectsoninternalconversionsandintersystemcrossingstheradiationlessdeexcitationofacroleininwater‏ ‎‡A Solvent effects on internal conversions and intersystem crossings: the radiationless de-excitation of acrolein in water‏ ‎‡9 1‏
919 ‎‡a solvatochromicshiftsonabsorptionandfluorescencebandsofnndimethylaniline‏ ‎‡A Solvatochromic Shifts on Absorption and Fluorescence Bands of N,N-Dimethylaniline‏ ‎‡9 1‏
919 ‎‡a simultaneoussolventandcounterioneffectsontheabsorptionpropertiesofamodeloftherhodopsinchromophore‏ ‎‡A Simultaneous Solvent and Counterion Effects on the Absorption Properties of a Model of the Rhodopsin Chromophore‏ ‎‡9 1‏
919 ‎‡a retinalmodelscomparisonofelectronicabsorptionspectrainthegasphaseandinmethanolsolution‏ ‎‡A Retinal models: comparison of electronic absorption spectra in the gas phase and in methanol solution‏ ‎‡9 1‏
919 ‎‡a ontheabsorptionpropertiesoftheexcitedstatesofdmabn‏ ‎‡A On the absorption properties of the excited states of DMABN‏ ‎‡9 1‏
919 ‎‡a locationofconicalintersectionsinsolutionusingasequentialquantummechanicsmoleculardynamicsmethod‏ ‎‡A Location of conical intersections in solution using a sequential quantum mechanics/molecular dynamics method‏ ‎‡9 1‏
919 ‎‡a howmethylationmodifiesthephotophysicsofthenativealltransretinalprotonatedschiffbaseacaspt21500studyingasphaseandinmethanol‏ ‎‡A How Methylation Modifies the Photophysics of the Native All- trans-Retinal Protonated Schiff Base: A CASPT2/MD Study in Gas Phase and in Methanol‏ ‎‡9 1‏
919 ‎‡a dualfluorescenceoffluorazeneinsolutionacomputationalstudy‏ ‎‡A Dual Fluorescence of Fluorazene in Solution: A Computational Study‏ ‎‡9 1‏
919 ‎‡a comparisonof3effectivehamiltonianmodelsofincreasingcomplexitytriazeneinwaterasatestcase‏ ‎‡A Comparison of three effective Hamiltonian models of increasing complexity: Triazene in water as a test case‏ ‎‡9 1‏
919 ‎‡a beyondthecontinuumapproach‏ ‎‡A Beyond the Continuum Approach‏ ‎‡9 1‏
919 ‎‡a asep1500studyofliquidchloroform‏ ‎‡A An ASEP/MD study of liquid chloroform‏ ‎‡9 1‏
919 ‎‡a newmethodtolocatesaddlepointsforreactionsinsolutionbyusingthefreeenergygradientmethodandthemeanfieldapproximation‏ ‎‡A A new method to locate saddle points for reactions in solution by using the free-energy gradient method and the mean field approximation‏ ‎‡9 1‏
919 ‎‡a caspt2casscfstudyofverticalandadiabaticelectrontransitionsofacroleininwatersolution‏ ‎‡A A CASPT2//CASSCF study of vertical and adiabatic electron transitions of acrolein in water solution‏ ‎‡9 1‏
919 ‎‡a theoreticalstudyoftheroleofsolventstarkeffectinelectrontransitions‏ ‎‡A Theoretical study of the role of solvent Stark effect in electron transitions‏ ‎‡9 1‏
919 ‎‡a useoftheaveragesolventpotentialapproachinthestudyofsolventeffects‏ ‎‡A Use of the Average Solvent Potential Approach in the Study of Solvent Effects‏ ‎‡9 1‏
946 ‎‡a b‏ ‎‡9 1‏
996 ‎‡2 DNB|1056681551‏
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996 ‎‡2 BNE|XX1583487‏
996 ‎‡2 BNF|15933640‏
996 ‎‡2 ISNI|0000000068813463‏
996 ‎‡2 ISNI|0000000060427832‏
996 ‎‡2 PLWABN|9810680532905606‏
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996 ‎‡2 NII|DA17410244‏
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996 ‎‡2 LC|n 2003108466‏
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996 ‎‡2 BNE|XX958414‏
996 ‎‡2 BNE|XX1432288‏
996 ‎‡2 ISNI|0000000083644151‏
996 ‎‡2 DNB|1056681330‏
996 ‎‡2 DNB|1157589022‏
996 ‎‡2 LC|n 2015188969‏
996 ‎‡2 NYNYRILM|24798‏
996 ‎‡2 J9U|987007257429205171‏
996 ‎‡2 DNB|130168270‏
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996 ‎‡2 LC|n 2020018309‏
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996 ‎‡2 BNCHL|10000000000000000222587‏
996 ‎‡2 DNB|134298438‏
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996 ‎‡2 SUDOC|115093877‏
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996 ‎‡2 NLR|RU NLR AUTH 77106565‏
996 ‎‡2 DNB|116270489‏
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996 ‎‡2 ISNI|000000008115807X‏
996 ‎‡2 RERO|A002911871‏
996 ‎‡2 BNC|981058512519206706‏
996 ‎‡2 J9U|987007604971605171‏
996 ‎‡2 LC|no2010038974‏
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996 ‎‡2 DNB|1188493507‏
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996 ‎‡2 BNCHL|10000000000000000861756‏
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996 ‎‡2 DE633|pe50047888‏
996 ‎‡2 LC|n 2021057206‏
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996 ‎‡2 BIBSYS|8035953‏
996 ‎‡2 LC|n 85265991‏
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996 ‎‡2 LC|nr 97021046‏
996 ‎‡2 SUDOC|200426923‏
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996 ‎‡2 DNB|1268740683‏
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996 ‎‡2 PLWABN|9814292943105606‏
996 ‎‡2 BNCHL|10000000000000000136262‏
996 ‎‡2 DNB|1056681691‏
996 ‎‡2 PTBNP|244900‏
996 ‎‡2 NUKAT|n 2015169740‏
996 ‎‡2 RERO|A000004375‏
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996 ‎‡2 BLBNB|000449663‏
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996 ‎‡2 LC|n 95095397‏
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996 ‎‡2 NTA|251227944‏
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996 ‎‡2 NTA|270094628‏
996 ‎‡2 LC|ns2012001077‏
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996 ‎‡2 NLA|000035423373‏
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996 ‎‡2 BNE|XX884191‏
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996 ‎‡2 J9U|987007260172005171‏
996 ‎‡2 LC|no2018131345‏
996 ‎‡2 DE633|pe30016253‏
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996 ‎‡2 ISNI|0000000060759204‏
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996 ‎‡2 PTBNP|1715268‏
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996 ‎‡2 LC|no2010061420‏
996 ‎‡2 PTBNP|2912‏
996 ‎‡2 LC|no2010030123‏
996 ‎‡2 PTBNP|2913‏
996 ‎‡2 LC|no2018176002‏
997 ‎‡a 0 0 lived 0 0‏ ‎‡9 1‏