Extending the Power of Quantum Chemistry to Large Systems with the Fragment Molecular Orbital Method-Reference-Cited by-同舟云学术

Extending the Power of Quantum Chemistry to Large Systems with the Fragment Molecular Orbital Method

Published:2007-05-19 Issue:30 Volume:111 Page:6904-6914
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Fedorov Dmitri G.¹,Kitaura Kazuo¹

Affiliation:

1. Research Institute for Computational Sciences (RICS), National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki, Japan 305-8568

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0716740

Reference156 articles.

1. Linear Scaling Density Functional Calculations with Gaussian Orbitals

2. Calculation of all-electron wavefunction of hemoprotein cytochrome c by density functional theory

3. All-electron density functional calculation on insulin with quasi-canonical localized orbitals

4. Development of parallel density functional program using distributed matrix to calculate all-electron canonical wavefunction of large molecules

5. Ab Initio Geometry Determinations of Proteins. 1. Crambin

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