R.K. Tiwari

A combined experimental and quantum chemical (DFT and AIM) study on molecular structure, spectroscopic properties, NBO and multiple interaction analysis in a novel ethyl 4-[2-(carbamoyl)hydrazinylidene]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer

A combined experimental and theoretical (DFT and AIM) studies on synthesis, molecular structure, spectroscopic properties and multiple interactions analysis in a novel Ethyl-4-[2-(thiocarbamoyl)hydrazinylidene]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer

Molecular structure, heteronuclear resonance assisted hydrogen bond analysis, chemical reactivity and first hyperpolarizability of a novel ethyl-4-{((2,4- dinitrophenyl)-hydrazono)-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate: A combined DFT and AIM approach

Synthesis, molecular structure, and spectral analyses of ethyl-4-[(2,4-dinitrophenyl)-hydrazonomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Synthesis, molecular structure and spectral analysis of ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate thiosemicarbazone: A combined DFT and AIM approach

Synthesis, molecular structure, hydrogen-bonding, NBO and chemical reactivity analysis of a novel 1,9-bis(2-cyano-2-ethoxycarbonylvinyl)-5-(4-hydroxyphenyl)-dipyrromethane: a combined experimental and theoretical (DFT and QTAIM) approach.

Synthesis, molecular structure, multiple interactions and chemical reactivity analysis of a novel ethyl 2-cyano-3-[5-(hydrazinooxalyl–hydrazonomethyl)-1H-pyrrol-2-yl]-acrylate and its dimer: A combined experimental and theoretical (DFT and QTAIM) approach

Synthesis, multiple interactions and spectroscopy analysis of ethyl-4-[(benzoyl)-hydrazonomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate: Through experimental and quantum chemical approaches

Synthesis, molecular structure, hydrogen-bonding and chemical reactivity analysis of 1,9-bis(2-cyano-2-ethoxycarbonylvinyl)-5-(2-chlorophenyl)-dipyrromethane: A combined experimental and theoretical approach

Studies on molecular structure, spectral analysis, chemical reactivity and first hyperpolarizability of a newly synthesized 1,9-bis[(4-isonicotinoyl)-hydrazonomethyl]-5-phenyl-dipyrromethane using experimental and theoretical approaches