Theoretical Study of Cytosine−Al, Cytosine−Cu and Cytosine−Ag (Neutral, Anionic and Cationic) (original) (raw)

Theoretical study of the protonation and deprotonation of cytosine. Implications for the interaction of cytosine with water

Chandra Mt

Journal of Molecular …, 2000

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CORRELATION BETWEEN THE STABILITIES OF Cu + -CYTOSINE, Zn 2+ - CYTOSINE COMPLEXES AND ENERGIES OF FRONTIER ORBITALS: DFT STUDY IN THE GAS PHASE

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Journal of Computational Chemistry, 2004

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Correlated Ab Initio Quantum Chemical Study of the Interaction of the Na + , Mg 2+ , Ca 2+ , and Zn 2+ Ions with the Tautomers of Cytosine

Rika Kobayashi

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Nino Russo

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A density functional theory study for the hydrogen-bonded nucleic acid base pair: cytosine dimer

Prabhat Kumar Sahu

The journal of physical chemistry. A, 2005

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A Systematic Investigation of Hydrogen-Bonding Effects on the 17 O, 14 N, and 2 H Nuclear Quadrupole Resonance Parameters of Anhydrous and Monohydrated Cytosine Crystalline Structures: A Density Functional Theory Study

Nasser L. Hadipour

The Journal of Physical Chemistry B, 2006

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A comparative study of the hydrogen-bonding patterns and prototropism in solid 2-thiocytosine (potential antileukemic agent) and cytosine, as studied by 1H-14N NQDR and QTAIM/ DFT

Jolanta N Latosińska

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Estimation of individual binding energies in some dimers involving multiple hydrogen bonds using topological properties of electron charge density

ali ebrahimi

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Interaction of cysteine with Cu2+ and group IIb (Zn2+, Cd2+, Hg2+) metal cations: a theoretical study

Nino Russo

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DFT Study on Conformational Behavior of Hydrogen Ion Abstractions of Cytosine Nucleosides: Aim and Nbo Analysis

Marjan Javan

Journal of Theoretical and Computational Chemistry, 2011

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Solution and Solid State Studies on the Interactions of Protonated Cytosine Salts. IV. Asymmetric Interbase Hydrogen Bonding and Interpyrimidine Base Stacking in Triply Hydrogen-Bonded Cytosine Complexes. Crystal and Molecular Structure of Bis[1-Methylcytosine, 1-Methylcytosinium] Hexafluorosilic...

John Caradonna

Advances in Molecular Relaxation and Interaction Processes, 1980

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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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Negative Ion Mass Spectra, Electron Affinities, Gas Phase Acidities, Bond Dissociation Energies, and Negative Ion States of Cytosine and Thymine

Ed Chen

The Journal of Physical Chemistry B, 2000

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Molecular electrostatic potential as reactivity index in hydrogen bond formation: an HF/6-31+G(d) study of hydrogen-bonded (HCN) n clusters, n =2,3,4,5,6,7

Boris Galabov

Journal of Molecular Structure, 2000

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AB initio and semiempirical molecular orbital studies on cytosine and N(4)-hydroxycytosine

Bogdan Lesyng

Journal of Molecular Structure, 1983

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The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine-Thymine (AT) Base Pairs and Their Mimics

Célia Fonseca Guerra

ChemistryOpen, 2015

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A Density Functional Theory Study of Cytosine on Au(111)

marta rosa

The Journal of Physical Chemistry C, 2012

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Theoretical study of the interaction between cytosine and hydrogen peroxide

D. Bieńko, Danuta Michalska

Chemical Physics, 2005

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Interaction of Mg2+, Ca2+, Zn2+ and Cu+ with cytosine nucleosides: Influence of metal on sugar puckering and stability of N-Glycosidic bond, a DFT study

ALI Pourjavadi

Journal of Molecular Structure: …, 2009

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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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A Perturbative Study of the Hydrogen Bonding in the Guanine- Cytosine Base Pair. Molecular Orbitals Correlation and Orbital Energy Shifts

Alberto Capparelli

Zeitschrift für Physikalische Chemie, 1985

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Electrostatic potential at nuclei as a reactivity index in hydrogen bond formation. Complexes of ammonia with C–H, N–H and O–H proton donor molecules

Boris Galabov

Journal of Molecular Structure: THEOCHEM, 2003

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Hydrogen Bonding in Mimics of Watson–Crick Base Pairs Involving C H Proton Donor and F Proton Acceptor Groups: A Theoretical Study

Evert Baerends

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Characterization of C-H-0 Hydrogen Bonds on the Basis of the Charge Density

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Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110)

Friedhelm Bechstedt

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Effect of Alkali Metal Cations on Length and Strength of Hydrogen Bonds in DNA Base Pairs

Célia Fonseca Guerra

ChemPhysChem, 2020

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Interaction of the Adenine−Thymine Watson−Crick and Adenine−Adenine Reverse-Hoogsteen DNA Base Pairs with Hydrated Group IIa (Mg 2+ , Ca 2+ , Sr 2+ , Ba 2+ ) and IIb (Zn 2+ , Cd 2+ , Hg 2+ ) Metal Cations: Absence of the Base Pair Stabilization by Metal-Induced Polarization Effects

Jaroslav Burda

The Journal of Physical Chemistry B, 1999

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Interaction of Amino Acids with Gold and Silver Clusters

Nazanin Jamshidi

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Effect of Cation Radical Formation on Reactivity and Acidity Enhancement of Cytosine Nucleobase: Natural Bond Orbital and Atom in Molecule Analysis

Marjan Javan

Journal of Theoretical and Computational Chemistry, 2012

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Metal ions in non-complementary DNA base pairs: an ab initio study of Cu(I), Ag(I), and Au(I) complexes with the cytosine-adenine base pair

Michal Sabat

JBIC Journal of Biological Inorganic Chemistry, 1999

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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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Computational Study of Substituent Effects on the Interaction Energies of Hydrogen-Bonded Watson−Crick Cytosine:Guanine Base Pairs

Paul Popelier

The Journal of Physical Chemistry B, 2008

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Theoretical Study of Interaction Between Adenine and M+(M= Li, Na, K, Rb, Cs) and M2+(M= Mg, Ca, Sr, Ba)

Masoud Karimkhani

… Electronic Journal of …, 2004

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