Search Result "ab initio-DFT"
Ab Initio and DFT Study of Chinesin I and Chinesin II
Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 274-293
Author(s): Liliana Mammino
Synthesis, Physico-Chemical Properties and DFT Calculations of New 2-(4- Arylpiperazine-1-yl)-1-(3-ethylbenzofuran-2-yl)ethanols As Potential Antihypertensive Agents
Journal: Current Organic Chemistry
Volume: 15 Issue: 7 Year: 2011 Page: 1081-1096
Author(s): Zuzana Mandelova, Radka Opatrilova, Ivan Raich, Jaroslav Havlicek, Sandra Kacerova, Tomas Pekarek, Marcela Tkadlecova, Petra Staskova, Jiri Dohnal, Jozef Csollei, Josef Jampilek
Ab-initio Investigation of 5-methoxybenzimidazole Compound
Journal: Current Materials Science
Volume: 17 Issue: 0 Year: 2024 Page: 1-10
Author(s):
Quantum Mechanical (QM) Calculations Applied to ADMET Drug Prediction: A Review
Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 511-526
Author(s): E. F. Silva-Júnior,T. M. Aquino,J. X. Araújo-Júnior
Synthesis, Characterization and Physico-chemical Properties of New 2-(4- Arylpiperazine-1-yl)-1-(3-methylbenzofuran-2-yl)ethanoles as Potential Antihypertensive Agents
Journal: Current Organic Chemistry
Volume: 13 Issue: 1 Year: 2009 Page: 965-975
Author(s): Radka Opatrilova, Josef Jampilek, Ivan Raich, Sandra Kacerova, Jaroslav Havlicek, Tomas Pekarek, Jiri Dohnal, Jozef Csollei
Computational Study of Carbon Open-Cages for Controllable Release of Nanoparticles
Journal: Current Nanomaterials
Volume: 2 Issue: 2 Year: 2017 Page: 104-109
Author(s): Mihail M. Sigalas
Study of Stability of New Mutual Prodrugs with Antimycobacterial Activity
Journal: Current Organic Chemistry
Volume: 12 Issue: 8 Year: 2008 Page: 667-674
Author(s): Josef Jampilek, Zuzana Reckova, Ales Imramovsky, Ivan Raich, Jarmila Vinsova, Jiri Dohnal
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
Photochemistry of Nitrated Polycyclic Aromatic Hydrocarbons under Solar Radiation
Journal: Current Organic Chemistry
Volume: 22 Issue: 10 Year: 2018 Page: 973-986
Author(s): Bojana D. Ostojic,Dragana S. Dordevic
Ab initio Energy Gap Calculations of ZnO Nanowires Based on LDA-1/2 Approach
Journal: Nanoscience & Nanotechnology-Asia
Volume: 4 Issue: 2 Year: 2014 Page: 124-131
Author(s): Mauro Ribeiro