original ) (raw )Study of [1,3]sigmatropic hydrogen migration in uracil, uridine and uridylic acid by AM! method
Rajeshwar Rao Bojja
Indian Journal of Chemistry Section B
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Tautomeric equilibrium of uracil and thymine in model protein-nucleic acid contacts. Spectroscopic and quantum chemical approach.
Yevgen Yurenko
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Rajeshwar R A O Bojja
Indian Journal of Chemistry Section B-organic Chemistry Including Medicinal Chemistry, 2009
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matias pila
European journal of mass spectrometry (Chichester, England), 2018
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R. Weinkauf
Chemical Physics, 1998
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Jagdeesh Bandekar
Spectrochimica Acta Part A: Molecular …, 1983
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Quantum chemical calculations on the intramolecular hydrogen bond of cis-urocanic acid
Matti Hotokka
Journal of Molecular Structure: THEOCHEM, 1998
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Samuel Leutwyler
The Journal of Physical Chemistry A, 2005
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Manuel Rueda
Physical Chemistry Chemical Physics, 2005
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Jyoti Chattopadhyaya
The Journal of Organic Chemistry, 1998
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Gil Navon
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Modesto Orozco
The Journal of Physical Chemistry B, 2000
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Piotr Storoniak
Journal of Chemical Physics, 2012
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Ab Initio and DFT Study of Uracil-Water Complexes
Achchhe Lal
2017
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Quantum-chemical gas-phase calculations on the protonation forms oftrans- andcis-urocanic acid
Matti Hotokka
Structural Chemistry, 1997
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Proton affinity ladder for uridine and analogs: influence of the hydroxyl group on the sugar ring conformation
Jean-claude Tabet
Journal of Mass Spectrometry, 2005
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A theoretical and experimental investigation of the electronic spectra and tautomerization of nucleobases
Rifaat Hilal
Biophysical Chemistry, 1995
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Analysis of uracil hydration by means of vibrational spectroscopy and density functional calculations
Mahmoud Ghomi
Journal of Molecular Structure, 2001
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What roles do boron substitutions play in structural, tautomeric, base pairing and electronic properties of uracil? NBO & AIM analysis
Azar Abedin
Journal of Physical Organic Chemistry, 2012
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A benchmark study of molecular structure by experimental and theoretical methods: Equilibrium structure of uracil from gas-phase electron diffraction data and coupled-cluster calculations
Jean Demaison
Journal of Molecular Structure, 2013
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Part XVIII. Conformations of ureidosuccinic acid and related {3-ureido acids
Ivan Pojarliev
J. Mol. Struc., 145 (1986) 115-119. β-Ureido acids and dihydrouracils. XVIII. Conformations of ureidosuccinic acid and related β-ureido acids. DOI: 10.1016/0022-2860(86)87034-X, 1984
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Outer valence orbital response to proton positions in prototropic tautomers of adenine
Célia Fonseca Guerra
Journal of Computational Methods in Sciences and Engineering, 2007
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Proton and Heavy Atom Motions during the Stepwise Proton Tautomerism of Various Oxalamidines. A Semiempirical PM3-MNDO Study
Hans-heinrich Limbach
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manoj kumar
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2010
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Influence of Noncovalent Interactions on Uracil Tautomer Selection: Coordination of Both N1 and N3 Uracilate to the Same Metal in the Solid State
Esteban Urriolabeitia
Crystal Growth & Design, 2004
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A theoretical study of the conformers of trans- and cis-urocanic acid
Matti Hotokka , Pertti Äyräs
Journal of Molecular Structure: THEOCHEM, 1995
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Anharmonic vibrational analysis of uracil by ab initio Hartree–Fock and density functional theory calculations
Shabbir Ahmad
Journal of Molecular Structure-theochem, 2009
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Stereoelectronic Interactions and Molecular Properties. An NBO-Based Study of Uracil
Gerardo Burton
The Journal of Physical Chemistry A, 2003
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Excited State Deactivation Mechanism in Protonated Uracil: New Insights from Theoretical Studies
fatemeh abedini
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Gas-phase study on uridine: Conformation and X-ray photofragmentation Gas-phase study on uridine: Conformation and X-ray photofragmentation
E. Rachlew , Kuno Kooser , Elisabeth Rachlew
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Stewart McIntyre
Canadian Journal of Chemistry, 1978
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AM1 study on the conformational analyses of tautomers in benzylpenicillin
Rajeshwar R A O Bojja
2013
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Pages 416-430Assisted Proton Transfer and Tautomerism in the Ground State of 8-Hydroxyadenine
Zohra Lakhdar
2006
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Theoretical Study of the Interaction between Uracil and Hydrogen Peroxide
D. Bieńko , Danuta Michalska
The Journal of Physical Chemistry A, 2003
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Energetics of Uracil Cation Radical and Anion Radical Ion−Molecule Reactions in the Gas Phase
Jill Wolken
The Journal of Physical Chemistry A, 2001
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