Search Result "Fock methods"

Multinucleon transfer reaction in time-dependent Hartree-Fock theory

Ebook: Frontiers in Nuclear and Particle Physics
Volume: 2 Year: 2019
Author(s): Kazuyuki Sekizawa,Kazuhiro Yabana
Doi: 10.2174/9781681087641119020007

Numerical Calculations of TDHF

Ebook: Frontiers in Nuclear and Particle Physics
Volume: 2 Year: 2019
Author(s): P. D. Stevenson
Doi: 10.2174/9781681087641119020005

Review Article

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

Research Article

QSPR Models to Predict Thermodynamic Properties of Cycloalkanes Using Molecular Descriptors and GA-MLR Method

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 1 Year: 2020 Page: 6-16
Author(s): Daryoush Joudaki,Fatemeh Shafiei

Quantum Mechanical Methods for Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 33-45
Author(s): Ting Zhou, Danzhi Huang, Amedeo Caflisch

Exploring Bonding in Heavy Atom Chemistry with Dirac-Exact Methods

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 3 Year: 2013 Page: 220-234
Author(s): Wenli Zou,Michael Filatov,Dieter Cremer

Synthesis and Reactions of β-Oxophosphoranes / Ylides Containing a Cyclic or Acyclic P-Moiety

Journal: Current Organic Chemistry
Volume: 8 Issue: 1 Year: 2004 Page: 1245-1261
Author(s): Gyorgy Keglevich, Henrietta Forintos, Tamas Kortvelyesi

The Fundamentals of Molecular Simulations

Ebook: A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth
Volume: 1 Year: 2017
Author(s): Jestin Baby Mandumpal
Doi: 10.2174/9781681084237117010006

Current State-of-the-art for Quantum Mechanics-based Methods in Drug Design

Ebook: New Developments in Medicinal Chemistry
Volume: 1 Year: 2010
Author(s): Carlton Anthony Taft,Carlos Henrique Tomich de Paula da Silva
Doi: 10.2174/978160805127411001010001

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

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