Search Result "conceptual densityfunctional theory"
Conceptual Density Functional Theory of Chemical Reactivity
Ebook: Advances in Mathematical Chemistry and Applications
Volume: 1 Year: 2014
Author(s): Pratim K. Chattaraj,Debesh R. Roy
Doi: 10.2174/9781608059287114010013
Parabolic Reactivity âColoringâ Molecular Topology: Application to Carcinogenic PAHs
Journal: Current Organic Chemistry
Volume: 17 Issue: 23 Year: 2013 Page: 2816-2830
Author(s): Mihai V. Putz,Ottorino Ori,Franco Cataldo,Ana-Maria Putz
Effect of Molecular Hardness on Ionic Characters, Bond Lengths, Bond Force Constants and Melting Points of Alkali Halides
Journal: Current Physical Chemistry
Volume: 7 Issue: 2 Year: 2017 Page: 159-164
Author(s): Savas Kaya,Cemal Kaya,Ilkay UÄurlu
Prophylactic and Therapeutic Potential Zinc Metallodrugs Drug Discovery:Identification of SARS-CoV-2 Replication and Spike/ACE2 Inhibitors
Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 7 Year: 2022 Page: 519-534
Author(s): Mpho P. Ngoepe,Kgaugelo C. Tapala,Hadley S. Clayton
Progress in Electronic-Structure Based Computational Methods: From Small Molecules to Large Molecular Systems of Biological Significance
Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s): Josep M. Oliva-Enrich
Doi: 10.2174/9789815036848122060008
Reliability Analysis in Geotechnical Engineering
Ebook: Frontiers in Civil Engineering
Volume: 4 Year: 2020
Author(s): Y.M. Cheng,J. H. Wang,L. Liang,W. H. Fung Ivan
Doi: 10.2174/9789811437427120040004
Ligand and Structure-Based Drug Design (LBDD and SBDD): Promising Approaches to Discover New Drugs
Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010003
From Recognition to Reaction Mechanism: An Overview on the Interactions between HIV-1 Protease and its Natural Targets
Journal: Current Medicinal Chemistry
Volume: 27 Issue: 15 Year: 2020 Page: 2514-2549
Author(s): Monsurat M. Lawal,Zainab K. Sanusi,Thavendran Govender,Glenn E.M. Maguire,Bahareh Honarparvar,Hendrik G. Kruger