scholarly journals Molecular Electrostatic Potential and Electron Density of Large Systems in Solution Computed with the Fragment Molecular Orbital Method

2019 ◽  
Vol 123 (29) ◽  
pp. 6281-6290 ◽  
Author(s):  
Dmitri G. Fedorov ◽  
Anton Brekhov ◽  
Vladimir Mironov ◽  
Yuri Alexeev
Keyword(s):  
Electron Density ◽  
Molecular Orbital ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Fragment Molecular Orbital ◽  
Large Systems

Fragment molecular orbital method: use of approximate electrostatic potential

2002 ◽  
Vol 351 (5-6) ◽  
pp. 475-480 ◽  
Author(s):  
Tatsuya Nakano ◽  
Tsuguchika Kaminuma ◽  
Toshiyuki Sato ◽  
Kaori Fukuzawa ◽  
Yutaka Akiyama ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Electrostatic Potential ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Fragment Molecular Orbital
Sign in / Sign up

Export Citation Format

Share Document