Raman scattering and DFT calculations used for analyzing the structural features of DMSO in water and methanol

Modeling the weak hydrogen bonding of pyrrole and dichloromethane through Raman and DFT study

(2012) Dheeraj Kumar Singh et al.   JOURNAL OF MOLECULAR MODELING

Molecular interactions of 2′-deoxyguanosine 5′-monophosphate with glycine in aqueous media probed via concentration and pH dependent Raman spectroscopic investigations and DFT study

(2012) Shweta Singh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Definition of the hydrogen bond (IUPAC Recommendations 2011)

(2011) Elangannan Arunan et al.   PURE AND APPLIED CHEMISTRY

Intermolecular hydrogen bonding in the binary mixture [(C2H5)2CO+CH3OH] probed by polarized Raman measurements and DFT calculations

(2011) Dheeraj K. Singh et al.   VIBRATIONAL SPECTROSCOPY

Study of Hydrogen Bonding Patterns of a Pharmaceutically Active Drug Molecule Paraldehyde: a Raman and DFT Study

(2011) Shweta Singh et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Clusters of acrylonitrile in methanol/ethanol: A structure–spectra correlation by quantum chemical and polarized Raman study

(2010) Dheeraj K. Singh et al.   CHEMICAL PHYSICS

Investigation of inter-molecular hydrogen bonding in the binary mixture (acetone + water) by concentration dependent Raman study andab initiocalculations

(2010) Ouyang Shun-Li et al.   Chinese Physics B

Self-association and hydrogen bonding of propionaldehyde in binary mixtures with water and methanol investigated by concentration-dependent polarized Raman study and DFT calculations

(2010) Dheeraj K. Singh et al.   JOURNAL OF RAMAN SPECTROSCOPY

Hydrogen bonding in different pyrimidine-methanol clusters probed by polarized Raman spectroscopy and DFT calculations

(2010) Dheeraj K. Singh et al.   JOURNAL OF RAMAN SPECTROSCOPY

Vibrational study of fluorobenzene and its solvation with methanol via polarized Raman measurements and quantum chemical calculations

(2010) Shweta Singh et al.   VIBRATIONAL SPECTROSCOPY

Vibrational study of thiophene and its solvation in two polar solvents, DMSO and methanol by Raman spectroscopy combined with ab initio and DFT calculations

(2008) Dheeraj K. Singh et al.   JOURNAL OF MOLECULAR STRUCTURE