Search Result "quantum chemical computations"
Electronegativity and Chemical Hardness: Different Patterns in Quantum Chemistry
Journal: Current Physical Chemistry
Volume: 1 Issue: 2 Year: 2011 Page: 111-139
Author(s): Mihai V. Putz
Quantum Chemical Studies of the Ground States of the Metal Centres in Haem-Copper Oxidases
Journal: Current Inorganic Chemistry (Discontinued)
Volume: 2 Issue: 3 Year: 2012 Page: 316-324
Author(s): Mikael P. Johansson
Quantum Chemical Study of Fe Doped ZnO Nanoclusters
Journal: Micro and Nanosystems
Volume: 5 Issue: 1 Year: 2013 Page: 14-21
Author(s): Shamoon Ahmad Siddiqui,M.M. Abdullah
Formation of a Toxic Quinoneimine Metabolite from Diclofenac: A Quantum Chemical Study
Journal: Drug Metabolism Letters
Volume: 13 Issue: 1 Year: 2019 Page: 64-76
Author(s): Muthusamy Ramesh,Prasad V. Bharatam
Quantum Chemical Approaches: Semiempirical Molecular Orbital and Hybrid Quantum Mechanical/Molecular Mechanical Techniques
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3293-3302
Author(s): Richard A. Bryce,Ian H. Hillier
Quantum Pharmacology for Infectious Diseases: A Molecular Connectivity Approach
Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 3 Year: 2012 Page: 249-254
Author(s): Shailza Singh
Reliable but Timesaving: In Search of an Efficient Quantum-chemical Method for the Description of Functional Fullerenes
Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1845-1858
Author(s): H. Reis,B. Rasulev,M.G. Papadopoulos,J. Leszczynski
Molecular Dynamic, Hirshfeld Surface, Computational Quantum andSpectroscopic analysis of 4-Hydroxy-1-Naphthaldehyde
Journal: Current Organocatalysis
Volume: 11 Issue: 1 Year: 2024 Page: 60-70
Author(s): M. Amin Mir
Computational Modeling of Coordination Chemistry of Transition Metal Cations in Zeolites and in Metal-organic Frameworks
Journal: Current Physical Chemistry
Volume: 2 Issue: 2 Year: 2012 Page: 189-199
Author(s): Hristiyan A. Aleksandrov, Petko St. Petkov, Georgi N. Vayssilov
Hybrid Usage of Computational Tools in Drug Synthesis
Journal: Current Computer-Aided Drug Design
Volume: 3 Issue: 2 Year: 2007 Page: 149-159
Author(s): Canan Atilgan, Viktorya Aviyente