Search Result "computational thermochemistry"
Joint Computational and Experimental Investigations on the Synthesis and Properties of Hantzsch-type Compounds: An Overview
Journal: Current Organic Chemistry
Volume: 23 Issue: 13 Year: 2019 Page: 1421-1438
Author(s): Tayebeh Hosseinnejad,Marzieh Omrani-Pachin,Majid M. Heravi
Computer-assisted Study of Garlic Organosulfur as Antioxidant Agents
Ebook: Advanced Pharmacy
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815049428123010006
Thermochemistry of TM(II) Complexes (TM=Ni, Cu and Zn) and Their Ligands from DFT Calculations
Journal: Current Physical Chemistry
Volume: 1 Issue: 1 Year: 2011 Page: 55-64
Author(s): Jose R.B. Gomes, Manuel A.V. Ribeiro da Silva
Progress in Electronic-Structure Based Computational Methods: From Small Molecules to Large Molecular Systems of Biological Significance
Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s): Josep M. Oliva-Enrich
Doi: 10.2174/9789815036848122060008
Unexpected Gas-Phase Ion Chemistry Results Unraveled by Computational Chemistry
Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1600-1611
Author(s): Jose A. Gamez, Ines Corral, Otilia Mo, Manuel Yanez
Chitosan-Aflatoxins B1, M1 Interaction: A Computational Approach
Journal: Current Organic Chemistry
Volume: 21 Issue: 28 Year: 2017 Page: 2877-2883
Author(s): L. A. Juarez-Morales,H. Hernandez-Cocoletzi,E. Chigo-Anota,E. Aguila-Almanza,M. G. Tenorio-Arvide
Synthesis, Experimental and Computational Spectroscopic Studies, and Formation Thermodynamics of Diethyl [[2-(1-Aryl-4,5-dihydro-1H-imidazol- 2-yl)hydrazinyl]methylene]propanedioates
Journal: Letters in Organic Chemistry
Volume: 11 Issue: 7 Year: 2014 Page: 493-497
Author(s): Agnieszka A. Kaczor, Monika Aleta ska-Kozak, Tomasz Wrobel, Dariusz Matosiuk
Computational Modeling of Coordination Chemistry of Transition Metal Cations in Zeolites and in Metal-organic Frameworks
Journal: Current Physical Chemistry
Volume: 2 Issue: 2 Year: 2012 Page: 189-199
Author(s): Hristiyan A. Aleksandrov, Petko St. Petkov, Georgi N. Vayssilov
DFT Study of the Mechanisms of Transition-Metal-Catalyzed Reductive Coupling Reactions
Journal: Current Organic Chemistry
Volume: 24 Issue: 12 Year: 2020 Page: 1367-1383
Author(s): Yuling Wang,Qinghua Ren
Radical Ion Generation Processes of Organic Compounds in Electrospray Ionization Mass Spectrometry
Journal: Mini-Reviews in Organic Chemistry
Volume: 4 Issue: 1 Year: 2007 Page: 75-87
Author(s): R. Vessecchi, A. E. M. Crotti, T. Guaratini, P. Colepicolo, S. E. Galembeck, N. P. Lopes