Keywords = NBO
An Experimental and Theoretical Study on Bicyclo-3,4-Dihydropyrimidinone Derivative: Synthesis and DFT Calculation

Volume 39, Issue 5, September and October 2020, Pages 21-33

10.30492/ijcce.2019.35673

Noshin Seif; Asadollah Farhadi; Rashid Badri; Ali Reza Kiasat


Quantum Chemical Investigations on C14C10-Branched-Chain Glucoside Isomers Towards Understanding Self-Assembly

Volume 39, Issue 3, May and June 2020, Pages 257-269

10.30492/ijcce.2020.34563

Imene Bayach; Teng Yong Tan; Vijay Manickam Achari; Rauzah Hashim


Biological, Electronic, NLO, NBO, TDDFT and Vibrational Analysis of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide

Volume 39, Issue 1, January and February 2020, Pages 233-242

10.30492/ijcce.2020.33260

Anoop Kumar Pandey; Vijay Narayan Mishra; Vijay Singh