Search Result "BSSE"
Inter- and Intra-Molecular Interactions by Quantum Theory of Atoms in Molecule
Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010009
Computational and Experimental Studies of Molecularly Imprinted Polymers for Organochlorine Pesticides Heptachlor and DDT
Journal: Current Analytical Chemistry
Volume: 8 Issue: 4 Year: 2012 Page: 562-568
Author(s): Kanchan Singh,S. Balasubramanian,B.E. Amitha Rani
Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts
Magnitude and Physical Origin of Intermolecular Interactions of Aromatic Molecules: Recent Progress of Computational Studies
Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 745-762
Author(s): S. Tsuzuki, T. Uchimaru
Conformationally Controlled Mechanistic Aspects of BACE 1 Inhibitors
Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 12 Issue: 1 Year: 2012 Page: 28-37
Author(s): M. Sonker, A. Yadav
Molecularly Imprinted Polymer and Computational Study of (E)-4-(2- cyano-3-(dimethylamino)acryloyl)benzoic Acid from Poly(ethylene terephthalate) Plastic Waste
Journal: Current Analytical Chemistry
Volume: 16 Issue: 2 Year: 2020 Page: 119-137
Author(s): Asmaa M. Fahim,BartÅomiej Wasiniak,Jerzy P. Åukaszewicz
Considering the Medium when Studying Biologically Active Molecules: Motivation, Options and Challenges
Ebook: Frontiers in Computational Chemistry
Volume: 1 Year: 2015
Author(s): Liliana Mammino,Mwadham M. Kabanda
Doi: 10.2174/9781608058648115010008
Subject Index
Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010011
A Review of Density Functional Theory Quantum Mechanics as Applied to Pharmaceutically Relevant Systems
Journal: Current Computer-Aided Drug Design
Volume: 3 Issue: 4 Year: 2007 Page: 290-296
Author(s): Shenna M. LaPointe, Donald F. Weaver
Intramolecular Electron Transfer: Computational Study Based on the Orbital Deletion Procedure (ODP)
Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 779-790
Author(s): Yirong Mo