Chemical Review and Letters

Patouossa Issofa; Nouping Fekoua Joelle Nadia; Kenmogne Titchio Joseline Flore; Kamseu Elie; Gouet Bebga; Rossignol Sylvie; Mbouombouo Ndassa Ibrahim; Eric Ngebichie Njankwa Njabon

A Theoretical Study of X-H⋯C and X-H⋯π Interactions Between Substituted Benzene Derivatives and HF, HCl and HBr: AIM, NBO and NMR Analyses

Volume 6, Issue 4, December 2023, Pages 479-493

10.22034/crl.2023.416728.1249

Hala Bahir; Saad khudhur Mohammed; Afaa Mohammed Ibrahim; Ali Adhab Hussein; Azadeh Khanmohammadi

Investigation of the Effect of Substitutions on the Electronic and Optical Properties of the Sumanene Molecule

Volume 6, Issue 4, December 2023

10.22034/crl.2024.426318.1261

Hadis Mohammadpour; Pouran Pourhakkak; Ren Guogang; Hamidreza Shamlouei; Mohammadreza Aallaei; Nasimeh Mohammadian

Exploration of the mutual effects between cation–π and intramolecular hydrogen bond interactions in the different complexes of mesalazine with metal cations of alkali and alkaline-earth: a DFT study

Volume 6, Issue 3, November 2023, Pages 262-275

10.22034/crl.2023.415348.1245

Fahimeh Alirezapour; Marziyeh Mohammadi; Azadeh Khanmohammadi

DFT Investigation of structure, stability, NBO charge on Titanium—Nitrogen nanoheterofullerenes evolved from a small nanocage

Volume 6, Issue 3, November 2023, Pages 297-307

10.22034/crl.2023.392371.1223

Iman Sabeeh Hasan; Alhussein Arkan Majhool; Mustafa Humam Sami; Mohaned Adil; Saripah Salbiah Syed Abdul Azziz

A comprehensive investigation into the effect of substitution on electronic structure, charge transfer, resonance, and strength of hydrogen bond in 3–amino-propene thial and its analogous: a DFT calculation

Volume 6, Issue 3, November 2023, Pages 308-326

10.22034/crl.2023.416216.1248

Maliheh Javdani Zamani Sagheb; Leila Hokmabady; Azadeh Khanmohammadi

Molecular Dynamic Simulations and Quantum Chemical Studies of Nitrogen Based Heterocyclic Compounds as Corrosion Inhibitors on Mild Steel Surface

Volume 6, Issue 2, August 2023, Pages 114-127

10.22034/crl.2023.400989.1226

Fater Iorhuna; Adulfatah shehu Muhammad; Abdullahi Muhammad Ayuba; Aondofa Thomas Nyijime

A Density Functional Theory (DFT) Study on Adsorption of a biological active ethionamide over the Surface of a Fe-decorated porphyrin system

Volume 6, Issue 2, August 2023, Pages 128-138

10.22034/crl.2023.387354.1204

Anupam Yadav; Ali Taha; YOUSRA ALI ABDULSAYED; Shakir Mahmood Saeed

Investigation of Ti—B nanoheterofullerenes evolved from C20 nanocage through DFT

Volume 6, Issue 2, August 2023, Pages 223-234

10.22034/crl.2023.392356.1222

Maryam Koohi; Hajieh Bastami

Study of the interaction of sorbed silver, gold and copper ions with functional groups on hydrolyzed fibroin using Charmm22 force field calculations

Volume 5, Issue 3, May 2022, Pages 161-168

10.22034/crl.2022.335548.1159

Khushnudbek Odilbekovich Eshchanov; Mukhabbat Baltaeva

Molecular Docking and In-silico Pharmacokinetic Investigations towards Designing Multi-target Potent Dengue Virus Inhibitors with enhanced Pharmacokinetic Profile

Volume 4, Issue 4, August 2021, Pages 200-205

10.22034/crl.2021.291706.1116

Samuel Ndaghiya Adawara; Shallangwa Adamu Gideon; Paul Mamza; Abdulkadir Ibrahim

Docking Simulations and Virtual Screening to find Novel Ligands for T3S in Yersinia pseudotuberculosis YPIII, A drug target for type III secretion (T3S) in the Gram-negative pathogen Yersinia pseudotuberculosis

Volume 4, Issue 3, May 2021, Pages 130-144

10.22034/crl.2021.254804.1088

Emmanuel Israel Edache; Uzairu Adamu; Paul Andrew Mamza; Shallangwa Adamu Gideon

In Silico Adsorption of Lomustin anticancer drug on the surface of Boron Nitride nanotube

Volume 4, Issue 3, May 2021, Pages 178-184

10.22034/crl.2021.290865.1111

Maryam Afshar; Roya Ranjineh Khojasteh; Roya Ahmadi; Mahboobeh Nakhaei Moghaddam

Computational techniques in designing a series of 1,3,4-trisubstituted pyrazoles as unique hepatitis C virus entry inhibitors

Volume 4, Issue 2, April 2021, Pages 108-119

10.22034/crl.2021.248725.1079

Stephen Ejeh; Adamu Uzairu; Gideon A. Shallangwa; Stephen E. Abechi

Thermodynamic and reactivity descriptors Studies on the interaction of Flutamide anticancer drug with nucleobases: A computational view

Volume 4, Issue 1, January 2021, Pages 54-65

10.22034/crl.2020.259697.1093

Maedeh Kamel; Kamal Mohammadifard

Journal Archive

Volume 7 (2024)

Volume 6 (2023)

Volume 5 (2022)

Volume 4 (2021)

Volume 3 (2020)

Volume 2 (2019)

Volume 1 (2018)