scholarly journals Anharmonic Downward Distortion Following for Automated Exploration of Quantum Chemical Potential Energy Surfaces

2014 ◽  
Vol 87 (12) ◽  
pp. 1315-1334 ◽  
Author(s):  
Satoshi Maeda ◽  
Tetsuya Taketsugu ◽  
Keiji Morokuma ◽  
Koichi Ohno
Keyword(s):  
Potential Energy ◽  
Quantum Chemical ◽  
Potential Energy Surfaces ◽  
Chemical Potential ◽  
Energy Surfaces

scholarly journals Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces

2016 ◽  
Vol 16 (5) ◽  
pp. 2232-2248 ◽  
Author(s):  
Satoshi Maeda ◽  
Yu Harabuchi ◽  
Makito Takagi ◽  
Tetsuya Taketsugu ◽  
Keiji Morokuma
Keyword(s):  
Potential Energy ◽  
Quantum Chemical ◽  
Potential Energy Surfaces ◽  
Chemical Potential ◽  
Energy Surfaces ◽  
Induced Reaction

Quantum chemical potential energy surfaces for HXeCl

1999 ◽  
Vol 244 (1) ◽  
pp. 25-34 ◽  
Author(s):  
Max Johansson ◽  
Matti Hotokka ◽  
Mika Pettersson ◽  
Markku Räsänen
Keyword(s):  
Potential Energy ◽  
Quantum Chemical ◽  
Potential Energy Surfaces ◽  
Chemical Potential ◽  
Energy Surfaces
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