Keywords = NBO
Insights into the Electronic Properties of Coumarins: A Comparative Study Synthesis, Characterization, and Theoretical Study of New Peptides Obtained by Opening Reactions of Sulfahydantoins

Volume 11, Issue 2, June 2023, Pages 341-352

Bouchouk Djamel; Abbaz Tahar; Azouz Mounir; Bendjeddou Amel; Gouasmia Abdelkrim; Villemin Didier

Insights into the Electronic Properties of Coumarins: A Comparative Study Synthesis, Characterization, and Theoretical Study of New Peptides Obtained by Opening Reactions of Sulfahydantoins


Quantitative Structure-activity Relationship Studies and Nonlinear Optical Properties of 2-Phenylbenzofuran Derivatives: A Density Functional Theory Study

Volume 10, Issue 1, March 2022, Pages 105-125

Nadia Benhalima; Moufida Touhami; Friha Khelfaoui; Fatima Yahia Cherif; Abdelkader Chouaih

Quantitative Structure-activity Relationship Studies and Nonlinear Optical Properties of 2-Phenylbenzofuran Derivatives: A Density Functional Theory Study


Effect of Polarity on the Interaction Energies of some Organic Solvent (OS)-Water System and Formation of Donor-acceptor Complex: Quantum Mechanical MP4 Study

Volume 10, Issue 1, March 2022, Pages 127-141

Mrinal Jyoti Bezbaruah; Ibrahim Ali; Benzir Ahmed; Pratyashee Barukial; Bipul Bezbaruah

Effect of Polarity on the Interaction Energies of some Organic Solvent (OS)-Water System and Formation of Donor-acceptor Complex: Quantum Mechanical MP4 Study


Theoretical Investigation of the Complexation Reaction of Procaine-hydrochloride by β-cyclodextrin

Volume 8, Issue 1, March 2020, Pages 155-165

Mansour Azayez; Teffaha Fergoug; Noureddine Meddah-Araibi; Cherifa Zelmat; Youcef Bouhadda

Theoretical Investigation of the Complexation Reaction of Procaine-hydrochloride by β-cyclodextrin


Experimental and Theoretical Studies on a Derivative of Tetrahydro-1H-Benzodiazepine

Volume 6, Issue 3, September 2018, Pages 505-519

Saeideh Yahyaei; Esmaeil Vessally; Mohammad Mahmoodi Hashemi

Experimental and Theoretical Studies on a Derivative of Tetrahydro-1H-Benzodiazepine


Bonding of Phosphoramides onto B-C59 Nanostructure as Drug Delivery Systems

Volume 6, Issue 1, March 2018, Pages 15-29

Zahra --- Shariatinia

Bonding of Phosphoramides onto B-C59 Nanostructure as Drug Delivery Systems