Alok K. Sachan

Experimental (FT-IR, FT-Raman, UV and NMR) and quantum chemical studies on molecular structure, spectroscopic analysis, NLO, NBO and reactivity descriptors of 3,5-Difluoroaniline

Shilendra K. Pathak, Rohit Srivastava, Alok K. Sachan et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 69 citations

Molecular Spectroscopy, Quantum Chemical Studies, Natural Sciences +8

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

Spectroscopic (FT-IR, FT-Raman, and UV–visible) and quantum chemical studies on molecular geometry, Frontier molecular orbitals, NBO, NLO and thermodynamic properties of 1-acetylindole

Vikas Shukla, Ebtehal S. Al‐Abdullah, Ali A. El‐Emam et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 20 citations

Molecular Spectroscopy, Quantum Chemical Studies, Physics +10

A combined experimental and theoretical investigation of 2-Thienylboronic acid: Conformational search, molecular structure, NBO, NLO and FT-IR, FT-Raman, NMR and UV spectral analysis

Alok K. Sachan, Shilendra K. Pathak, Leena Sinha et al. · Journal of Molecular Structure · 2014 · 14 citations

Molecular Spectroscopy, Engineering, 2-Thienylboronic Acid +8

Molecular structure, vibrational and electronic properties of 4-Phenyl-3H-1,3-thiazol-2-ol using density functional theory and comparison of drug efficacy of keto and enol forms by QSAR analysis

Alok K. Sachan, Shilendra K. Pathak, Satish Chand et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 10 citations

Medicinal Chemistry, Qsar Analysis, Engineering +9