A theoretical study on cytosine tautomers in aqueous media by using continuum models
Aguinaldo Robinson de Souza
Chemical Physics Letters, 2000
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The tautomeric equilibria of cytosine studied by NQR spectroscopy and HF, MP2 and DFT calculations
Jolanta N Latosińska
Journal of Molecular Structure, 2003
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Density functional study of the 5-methylcytosine tautomers
Mónica Oliva
Chemical Physics, 2001
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Intramolecular proton transfer in monohydrated tautomers of cytosine: An ab initio post-Hartree-Fock study
Jerzy Leszczynski, Leonid Gorb
International Journal of Quantum Chemistry, 1998
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Comprehensive Core-Level Study of the Effects of Isomerism, Halogenation, and Methylation on the Tautomeric Equilibrium of Cytosine
Antti Kivimaki
The Journal of Physical Chemistry A, 2011
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A CCSD(T) Study of the Relative Stabilities of Cytosine Tautomers
Rika Kobayashi
The Journal of Physical Chemistry A, 1998
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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
Rika Kobayashi
Physical Chemistry Chemical Physics, 2013
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A theoretical study on tautomerization processes of dehydrated and monohydrated cytosine
Nino Russo
Journal of Molecular Structure: THEOCHEM, 2007
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The interaction between cytosine tautomers and water: an MP2 and coupled cluster electron correlation study
Geza Fogarasi
Chemical Physics Letters, 2002
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Tautomerism of cytosine, cytidine, and deoxycytidine: Proton transfer through water bridges
Venelin Enchev
International Journal of Quantum Chemistry, 2022
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Tautomers of cytosine and their excited electronic states: a matrix isolation spectroscopic and quantum chemical study
Geza Fogarasi
Physical Chemistry Chemical Physics, 2011
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The Tautomerism of Cytosine and Hydroxycytosine. A Quantum-Mechanical Study
Bogdan Lesyng
Zeitschrift für Naturforschung C, 1982
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The importance of correct tautomeric structures for biological molecules
Poul Erik Hansen
2015
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Tautomerism of nucleic acid bases. I. Cytosine
Sunney Chan
Journal of the American Chemical Society, 1972
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Ab Initio Quantum Chemical Studies of 15N and 13C NMR Shielding Tensors in Serine and Complexes of Serine- nH2O: Investigation on Strength of the CαH…O Hydrogen bonding in the Amino Acid Residue
Fatemeh Mollaamin
Journal of Physical & Theoretical Chemistry, 2005
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Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study
Milica Rancic
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015
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The role of explicit solvent molecules in the calculation of NMR chemical shifts of glycine in water
Patricio F Provasi
Theoretical Chemistry Accounts, 2018
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Ab Initio Study of 2,4-Substituted Azolidines. II. Amino−Imino Tautomerism of 2-Aminothiazolidine-4-one and 4-Aminothiazolidine-2-one in Water Solution
Venelin Enchev
Journal of Physical Chemistry A, 2005
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Theoretical Study of Direct and Solvent–Assisted Proton Transfer and Tautomerism in the Ground State of 8–Hydroxyadenine
Nejm-Eddine Jaidane
… Electronic Journal of …, 2006
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Measurement of Proton, Nitrogen, and Carbonyl Chemical Shielding Anisotropies in a Protein Dissolved in a Dilute Liquid Crystalline Phase
Gabriel Cornilescu
Journal of The American Chemical Society, 2000
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Tautomerism in 7-Hydroxyquinoline: A Combined Experimental and Theoretical Study in Water
Osama K Abou-Zied
The Journal of Physical Chemistry A, 2011
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A theoretical investigation of tautomeric equilibria and proton transfer in isolated and monohydrated cytosine and isocytosine molecules
Y. Podolyan, Jerzy Leszczynski, Leonid Gorb
Journal of Molecular Structure: THEOCHEM, 1999
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Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations
Ivan Juranic
Structural Chemistry, 2017
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Dependence of the l -Alanyl- l -Alanine Conformation on Molecular Charge Determined from Ab Initio Computations and NMR Spectra
Zuzana Vokácová, Vladimír Sychrovský, Jaroslav Sebestik
The Journal of Physical Chemistry B, 2008
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Investigation of solvent effect and NMR shielding tensors of p53 tumor-suppressor gene in drug design
Bahareh Honarparvar
International Journal of Nanomedicine, 2011
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Solvent Dependence of 14 N Nuclear Magnetic Resonance Chemical Shielding Constants as a Test of the Accuracy of the Computed Polarization of Solute Electron Densities by the Solvent
Raphael Ribeiro
Journal of Chemical Theory and Computation, 2009
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Lactim–lactam tautomerism is favoured over enol–keto tautomerism in 2-hydroxy-5-(4-fluorophenyl)nicotinic acid: Experimental and quantum chemical approach
Bijan Paul
Journal of Photochemistry and Photobiology A: Chemistry, 2010
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DFT and MP2 Calculations on Tautomers and Water-Assisted Proton Transfer on 1,2,5-Oxadiazol-4,3-diamine
Alireza salimi beni
Russian Journal of Physical Chemistry A, 2018
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