Search Result "continuum Solvent MOdel (COSMO)"
Modelling the Effect of Solvents on Carbohydrates
Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 249-255
Author(s): Vojtech Spiwok, Alfred D. French
Solvation Models: Theory and Validation
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3266-3280
Author(s): Enrico O. Purisima,Traian Sulea
Theoretical Modeling of the Interaction Chiral Modifier/Substrate as a Key Step in the Enantioselective Hydrogenation of α-ketoesters and Vicinal Diketones
Journal: Current Catalysis
Volume: 3 Issue: 2 Year: 2014 Page: 213-219
Author(s): Jose F. Ruggera, Ayelen Gazquez, Reinaldo Pis Diez, Monica L. Casella
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
Computational Models for Central Nervous System Penetration
Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 2 Year: 2009 Page: 71-89
Author(s): Anthony E. Klon
Current State-of-the-art for Quantum Mechanics-based Methods in Drug Design
Ebook: New Developments in Medicinal Chemistry
Volume: 1 Year: 2010
Author(s): Carlton Anthony Taft,Carlos Henrique Tomich de Paula da Silva
Doi: 10.2174/978160805127411001010001
An In Silico Stereo-electronic Comparison of Conventional Pyridinium Oximes and K-oximes for Organophosphate (OP) Poisoning
Journal: Medicinal Chemistry
Volume: 8 Issue: 2 Year: 2012 Page: 230-245
Author(s): Apurba K. Bhattacharjee, Kamil Kuca, Kamil Musilek, Richard K. Gordon
Structure Simulations of Solutions with Small Organic Solutes at Ambient Temperature and pH =7
Journal: Current Physical Chemistry
Volume: 4 Issue: 4 Year: 2014 Page: 330-392
Author(s): Peter I. Nagy
Calculation Methods for the Enhancement of Pharmaceutical Properties in Small Molecules: Estimating the Cationic pKa
Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4310-4315
Author(s): Ann R. Hermone, Rick Gussio
Computational Investigations on Organic Sensitizers for Dye-Sensitized Solar Cell
Journal: Current Organic Synthesis
Volume: 9 Issue: 2 Year: 2012 Page: 215-232
Author(s): Mariachiara Pastore, Edoardo Mosconi, Simona Fantacci, Filippo De Angelis