Search Result "Post-Hartree-Fock"


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

Accelerating Quantum Chemistry Calculations with Graphical Processing Units - Toward in High-Density (HD) Silico Drug Discovery

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 3 Year: 2013 Page: 396-401
Author(s): Yohsuke Hagiwara,Kazuki Ohno,Masaya Orita,Ryota Koga,Toshio Endo,Yutaka Akiyama,Masakazu Sekijima

Editorial free to download

Editorial (Thematic Issue: Ceramics, Nanotubes, Advanced Materials: Theoretical and Experimental Structure-Property Relationships Part III)

Journal: Current Physical Chemistry
Volume: 5 Issue: 3 Year: 2015 Page: 187-187
Author(s): Carlton A. Taft

Perspective on the Role of Quantum Mechanical Calculations on Cellular Molecular Interactions

Ebook: Frontiers in Computational Chemistry

Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070002
Review Article

Review of Proteinochromism Modeling in Computational Chemistry

Journal: Current Organic Chemistry
Volume: 21 Issue: 10 Year: 2017 Page: 856-871
Author(s): Tobias Schwabe

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

Editorial free to download

Editorial (Thematic Issue: Ceramics, Nanotubes, Advanced Materials: Theoretical and Experimental Structure-Property Relationships Part IV)

Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 270-273
Author(s): Carlton A. Taft

Editorial

Editorial (Thematic Issue: Ceramics, Nanotubes, Advanced Materials: Theoretical and Experimental Structure-Property Relationships: Part V)

Journal: Current Physical Chemistry
Volume: 6 Issue: 1 Year: 2016 Page: 7-9
Author(s): Carlton A. Taft

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