Search Result "coupled-cluster single doubles (CCSD)"
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
A Full-Dimensional ab initio Intermolecular Potential Energy Surface andDipole Moment Surfaces for H2O-Ar
Journal: Current Chinese Science
Volume: 2 Issue: 4 Year: 2022 Page: 325-334
Author(s):
Progression of Absolute Configuration Determination in Natural Product Chemistry Using Optical Rotation (Dispersion), Matrix Determinant and Electronic Circular Dichroism Methods
Journal: Current Organic Chemistry
Volume: 15 Issue: 1 Year: 2011 Page: 1843-1862
Author(s): Sheng-Ding Zhao, Lan Shen, Du-Qiang Luo, Hua-Jie Zhu
Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts
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
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
Theoretical Insights into Dispersion and Hydrogen-Bonding Interactions in Biomolecular Systems
Journal: Current Organic Chemistry
Volume: 14 Issue: 2 Year: 2010 Page: 129-137
Author(s): Alexander Pavlov, Petar M. Mitrasinovic
Unconventional Interaction Forces in Protein and Protein-ligand Systems and their Impacts to Drug Design
Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1141-1151
Author(s): Qing-Yan Wang, Jian Lu, Si-Ming Liao, Qi-Shi Du, Ri-Bo Huang
Studies of Neutral Rare-Gas Compounds and their Non-Covalent Interactions with Other Molecules
Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 791-803
Author(s): Sean A. C. McDowell
Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective
Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 3 Year: 2013 Page: 242-259
Author(s): Latevi Max Lawson Daku