Vikas Shukla

Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study on electronic structure, spectral features, hydrogen bonding and solvent effects of 4-methylthiadiazole-5-carboxylic acid

I. B. Singh, Ali A. El‐Emam, Shilendra K. Pathak et al. · Molecular Simulation · 2019 · 70 citations · Full text

Engineering, Theoretical Dft, Natural Sciences +15

FT-IR, FT-Raman, NMR, UV and quantum chemical studies on monomeric and dimeric conformations of 3,5-dimethyl-4-methoxybenzoic acid

M. Karabacak, Leena Sinha, Onkar Prasad et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 33 citations

Molecular Spectroscopy, Dimeric Conformations, Quantum Chemical Studies +6

Anticarcinogenic activity of blue fluorescent hexagonal boron nitride quantum dots: as an effective enhancer for DNA cleavage activity of anticancer drug doxorubicin

Sima Umrao, Akhilendra Kumar Maurya, Vikas Shukla et al. · Materials Today Bio · 2019 · 32 citations · Full text

FT-IR, FT-Raman and UV spectroscopic investigation, electronic properties, electric moments, and NBO analysis of anethole using quantum chemical calculations

Leena Sinha, Onkar Prasad, Satish Chand et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 27 citations

Engineering, Natural Sciences, Spectroscopy +11

Study on molecular structure, spectroscopic behavior, NBO, and NLO analysis of 3-methylbezothiazole-2-thione

Satish Chand, Fatmah A. M. Al-Omary, Ali A. El‐Emam et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 26 citations

Spectroscopic Behavior, Biochemistry, Natural Sciences +6