Molecular structure of β-oxy-bis-acrylamides on the pathway of the dimers formation. DFT and FTIR study

TN Aksamentova, NN Chipanina, MV Andreev… - Journal of Molecular …, 2020 - Elsevier
Conformational isomers of β-oxy-bis-acrylamides O (CH= CHCONR 1 R 2) 2 and their
dimers were calculated with DFT methods using NBO and QTAIM analysis. The low …

Density functional theory and topological analysis on the hydrogen bonding interactions in cysteine‐thymine complexes

Z Huang, L Yu, Y Dai - International Journal of Quantum …, 2011 - Wiley Online Library
Hydrogen bonding interactions between amino acids and nucleic acid bases constitute the
most important interactions responsible for the specificity of protein binding. In this study …

An excess electron connects uracil to glycine: Ab-initio study

AF Jalbout, KY Pichugin, L Adamowicz - The European Physical Journal D …, 2003 - Springer
In recent work Gutowski et al.[Eur. Phys. J. D 20, 431 (2002)] reported photoelectron-
spectroscopy and theoretical study of covalent anion of the uracil-glycine complex. In …

[引用][C] Density functional theory and topological analysis of biologically active complexes of platinium metal with l-cysteine and 2-mercaptopyrimidine

HC Yazici - 2015 - platform.almanhal.com
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