Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution : Part 1. Cytosine
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Five isomers of monomeric cytosine and their interconversions induced by tunable UV laser light.Spontaneous tunneling and near-infrared-induced interconversion between the amino-hydroxy conformers of cytosine.Electronic spectra, excited state structures and interactions of nucleic acid bases and base assemblies: a review.A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs.Quantum chemical MP2 results on some hydrates of cytosine: binding sites, energies and the first hydration shell.Automated quantum chemistry based molecular dynamics simulations of electron ionization induced fragmentations of the nucleobases Uracil, Thymine, Cytosine, and Guanine.Gas-phase hydration thermochemistry of sodiated and potassiated nucleic acid bases.Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Part 4. Uracil and thymine.Stability and isomerization of complexes formed by metal ions and cytosine isomers in aqueous phase.Tautomerization in the formation and collision-induced dissociation of alkali metal cation-cytosine complexes.Comparison of gas phase intrinsic properties of cytosine and thymine nucleobases with their O-alkyl adducts: different hydrogen bonding preferences for thymine versus O-alkyl thymine.VUV photoionization of gas phase adenine and cytosine: a comparison between oven and aerosol vaporization.A correlated ab initio quantum chemical study of the interaction of the Na+, Mg2+, Ca2+ and Zn2+ ions with the tautomers of cytosine in the presence of polar solvent.Thin-film properties of DNA and RNA bases: a combined experimental and theoretical study.Molecular thermodynamics of metabolism: quantum thermochemical calculations for key metabolites.Potential energy surfaces of the microhydrated guanine...cytosine base pair and its methylated analogue.Deprotonated guanine·cytosine and 9-methylguanine·cytosine base pairs and their "non-statistical" kinetics: a combined guided-ion beam and computational study.Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods.Vibrational dynamics of DNA. II. Deuterium exchange effects and simulated IR absorption spectra.Two-step evaluation of binding energy and potential energy surface of van der Waals complexes.The excited-state structure, vibrations, lifetimes, and nonradiative dynamics of jet-cooled 1-methylcytosine.Hydration and stability of nucleic acid bases and base pairsTautomers of cytosine and their excited electronic states: a matrix isolation spectroscopic and quantum chemical study
P2860
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P2860
Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution : Part 1. Cytosine
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im Januar 2002 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
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наукова стаття, опублікована у 2002
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name
Correlated ab initio study of ...... us solution : Part 1. Cytosine
@en
Correlated ab initio study of ...... us solution : Part 1. Cytosine
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type
label
Correlated ab initio study of ...... us solution : Part 1. Cytosine
@en
Correlated ab initio study of ...... us solution : Part 1. Cytosine
@nl
prefLabel
Correlated ab initio study of ...... us solution : Part 1. Cytosine
@en
Correlated ab initio study of ...... us solution : Part 1. Cytosine
@nl
P2093
P2860
P50
P356
P1476
Correlated ab initio study of ...... us solution : Part 1. Cytosine
@en
P2093
Manuel Rueda
Modesto Orozco
Petr Slavíček
Semen A. Trygubenko
Tetyana V. Bogdan
P2860
P304
P356
10.1039/B202156K
P407
P577
2002-01-01T00:00:00Z