Search Result "MP2"
Theoretical Computations on the Pyrolysis of Alkyl (dithio)acetates
Journal: Letters in Organic Chemistry
Volume: 17 Issue: 3 Year: 2020 Page: 224-233
Author(s): Xun Zhu,Chen Jian,Xiuqin Zhou,Abdullah M. Asiri,Khalid A. Alamry,Ping Wu,Zhihao Huang
Metabolic Electron Attachment as a Primary Mechanism For Toxicity Potentials of Halocarbons
Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 1 Year: 2016 Page: 62-72
Author(s): Krishnan Balasubramanian,Subhash C. Basak
Reversible Friedel-Crafts Acylations of Anthracene: Rearrangements of Acetylanthracenes
Journal: Letters in Organic Chemistry
Volume: 6 Issue: 3 Year: 2009 Page: 237-241
Author(s): Tahani Malabi, Sergey Pogodin, Israel Agranat
A Computational Study of Euglobal G1 - An Acylphloroglucinol with Anticancer Activity
Journal: Current Bioactive Compounds
Volume: 10 Issue: 3 Year: 2014 Page: 163-180
Author(s): Liliana Mammino
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
Antioxidant Activity of a Selenopeptide Modelling the Thioredoxin ReductaseActive Site is Enhanced by NH···Se Hydrogen Bond in the Mixed SelenosulfideIntermediate
Journal: Current Chemical Biology
Volume: 16 Issue: 1 Year: 2022 Page: 44-53
Author(s):
Molecular Insights into Resveratrol and Its Analogs as SARS-CoV-2 (COVID-19) Protease Inhibitors
Journal: Coronaviruses
Volume: 2 Issue: 11 Year: 2021 Page: 11-29
Author(s): Vaishali M. Patil,Rohan R. Narkhede,Neeraj Masand,Rameshwar S. Cheke,Krishnan Balasubramanian
Computational Investigations on Stability and Equilibrium Composition of (Z)-indol-3-ylidenemethanol: An Enol-tautomer of 1H-indole-3-carbaldehyde via DFT Approach
Journal: Current Physical Chemistry
Volume: 8 Issue: 3 Year: 2018 Page: 194-210
Author(s): Ibrahim Asiata Omotayo,Oyebamiji Abel Kolawole,Semire Banjo
Synthesis, Characterization, Quantum-Chemical Calculations and Cytotoxic Activity of 1,8-Naphthalimide Derivatives with Non-Protein Amino Acids
Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 19 Issue: 10 Year: 2019 Page: 1276-1284
Author(s): Marin N. Marinov,Emilia D. Naydenova,Georgi T. Momekov,Rumyana Y. Prodanova,Nadezhda V. Markova,Yulian T. Voynikov,Neyko M. Stoyanov
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