Search Result "GAMESS"
GAMESS As a Free Quantum-Mechanical Platform for Drug Research
Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 2013-2033
Author(s): Yuri Alexeev,Michael P. Mazanetz,Osamu Ichihara,Dmitri G. Fedorov
Theoretical Coupling and Stability of Boronic Acid Adducts with Catecholamines
Journal: Letters in Drug Design & Discovery
Volume: 16 Issue: 4 Year: 2019 Page: 467-475
Author(s): Eugeniy Demianenko,Alexey Rayevsky,Marvin A. Soriano-Ursúa,José G. Trujillo-Ferrara
Adsorption Properties and Quantum Molecular Descriptors of the AnticancerDrug Cytophosphane on the Armchair Single-Walled CarbonNanotubes: A DFT Study
Journal: Letters in Organic Chemistry
Volume: 19 Issue: 11 Year: 2022 Page: 1034-1041
Author(s):
Investigation and Analytical Applications of the Reaction of N1-methylnicotinamide and Active Methylene Containing Drugs
Journal: Current Pharmaceutical Analysis
Volume: 17 Issue: 10 Year: 2021 Page: 1331-1338
Author(s): Heba A. Elsebaie,Mervat H. Elhamamsy,Khaled M. Elokely,Mohammed A. Eldawy
An Analytical Approach to Predict High-spin Stability of Conjugated Hydrocarbon Radical Polymers using Minimized Mixing Nonbonding Molecular Orbitals
Journal: Current Physical Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 99-112
Author(s): Xun Zhu,Yuriko Aoki
Carboxylated Lysine is Required for Higher Activities in Hydantoinases
Journal: Protein & Peptide Letters
Volume: 18 Issue: 7 Year: 2011 Page: 663-669
Author(s): Vijay Kumar, Neetu Saxena, Monika Sarma, K.V.Radha Kishan
Electron-Deficient Phosphines Accelerate the Heck Reaction of Electronrich Olefins in Ionic Liquid
Journal: Letters in Organic Chemistry
Volume: 6 Issue: 1 Year: 2009 Page: 60-64
Author(s): Shifang Liu, Ourida Saidi, Neil Berry, Jiwu Ruan, Alan Pettman, Nick Thomson, Jianliang Xiao
DFT Study and NBO Analysis of Conformational Properties of 2-Substituted 2-Oxo-1,3,2-Dioxaphosphorinanes and Their Dithia and Diselena Analogs
Journal: Letters in Organic Chemistry
Volume: 12 Issue: 7 Year: 2015 Page: 516-522
Author(s): Fatemeh Azarakhshi,Mehrnoosh Khaleghian,Nazanin Farhadyar
Synthesis of Novel α-amidino Carboxylic Acids and their Use as H-Bond Catalysts in Strecker Reaction
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 8 Year: 2018 Page: 609-614
Author(s): Zahra Zaghari,Javad Azizian
BINOL-Based Ditopic Diphosphite Ligands â Synthesis, Evaluation and Regioselectivity Optimization of Catalytic Hydroformylation by 23 Factorial Design
Journal: Current Organic Synthesis
Volume: 11 Issue: 2 Year: 2014 Page: 301-309
Author(s): Andreia F. Peixoto,Artur R. Abreu,Ana R. Almeida,Angela Neves,Paulo E. Abreu,Maria J.S.M. Moreno,Juan C. Bayon,Alberto A.C.C. Pais,Mariette M. Pereira