scholarly journals Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules

2018 ◽  
Vol 58 (1) ◽  
pp. 194-205 ◽  
Author(s):  
Zhaomin Liu ◽  
Stephen J. Barigye ◽  
Moeed Shahamat ◽  
Paul Labute ◽  
Nicolas Moitessier
Keyword(s):  
Small Molecules ◽  
Molecular Mechanics ◽  
Conformational Energy ◽  
Molecular Mechanics Method

Simulation of the infrared spectra of acetamide by an extended molecular mechanics method

1996 ◽  
Vol 361 (1-3) ◽  
pp. 217-227 ◽  
Author(s):  
E. Ganeshsrinivas ◽  
D.N. Sathyanarayana ◽  
K. Machida ◽  
Y. Miwa
Keyword(s):  
Molecular Mechanics ◽  
Infrared Spectra ◽  
Molecular Mechanics Method

Molecular mechanics study of endohedral fullerene complexes with small molecules

Carbon ◽  
2001 ◽  
Vol 39 (12) ◽  
pp. 1907-1911 ◽  
Author(s):  
Helena Dodziuk ◽  
Grigory Dolgonos ◽  
Oleg Lukin
Keyword(s):  
Small Molecules ◽  
Molecular Mechanics ◽  
Endohedral Fullerene ◽  
Fullerene Complexes
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