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A density functional study of (17)O, (14)N and (2)H electric field gradient tensors in the real crystalline structure of alpha-glycine

artículo científico publicado en 2006

A molecular modelling study of the effects of pivalate ligand substitutions on the magnetic properties of chromium-wheels host complexes

artículo científico publicado en 2018

A systematic investigation of hydrogen-bonding effects on the 17O, 14N, and 2H nuclear quadrupole resonance parameters of anhydrous and monohydrated cytosine crystalline structures: a density functional theory study

artículo científico publicado en 2006

An investigation of hydrogen-bonding effects on the nitrogen and hydrogen electric field gradient and chemical shielding tensors in the 9-methyladenine real crystalline structure: a density functional theory study.

artículo científico publicado en 2006

Biological evaluation, docking and molecular dynamic simulation of some novel diaryl urea derivatives bearing quinoxalindione moiety

artículo científico publicado en 2017

Carbon doped boron phosphide nanotubes: a computational study

artículo científico publicado en 2010

Covalent hybridization of CNT by thymine and uracil: a computational study

artículo científico publicado en 2010

Density functional calculations of oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors to study hydrogen bonding properties of peptide group (O=C-NH) in crystalline acetamide

artículo científico publicado en 2007

Inhibitory effects of curcumin on aldose reductase and cyclooxygenase-2 enzymes

artículo científico publicado en 2020

Investigating purine-functionalised carbon nanotubes and their properties: a computational approach

scientific article published on 01 June 2011

Investigation of C-H...O=C and N-H...OC hydrogen-bonding interactions in crystalline thymine by DFT calculations of O-17, N-14 and H-2 NQR parameters

artículo científico publicado en 2006

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