scholarly journals Improved Modeling of Cation‐π and Anion‐Ring Interactions Using the Drude Polarizable Empirical Force Field for Proteins

2019 ◽  
Vol 41 (5) ◽  
pp. 439-448 ◽  
Author(s):  
Fang‐Yu Lin ◽  
Alexander D. MacKerell
Keyword(s):  
Force Field ◽  
Empirical Force Field

Empirical force field calculations on sandalwood odor molecules

1987 ◽  
Vol 22 (5) ◽  
pp. 479-480 ◽  
Author(s):  
Anton Beyer ◽  
Peter Wolschann ◽  
Armin Becker ◽  
Gerhard Buchbauer ◽  
Karin Mraz
Keyword(s):  
Force Field ◽  
Force Field Calculations ◽  
Empirical Force Field ◽  
Empirical Force Field Calculations

Diels-alder reactions of tropylium ion. An empirical force field study

1990 ◽  
Vol 31 (16) ◽  
pp. 2255-2258
Author(s):  
George B. Clemans ◽  
R.G. Jacoby ◽  
M.S. Metzger
Keyword(s):  
Force Field ◽  
Field Study ◽  
Diels Alder ◽  
Empirical Force Field

C13 – a new empirical force field to characterize the mechanical behavior of carbyne chains

2020 ◽  
Vol 22 (2) ◽  
pp. 758-771 ◽  
Author(s):  
Bruno Faria ◽  
Carlos E. S. Bernardes ◽  
Nuno Silvestre ◽  
José N. Canongia Lopes
Keyword(s):  
Mechanical Properties ◽  
Force Field ◽  
Mechanical Behavior ◽  
Empirical Potential ◽  
Bond Alternation ◽  
Empirical Force Field

The C13 empirical potential is developed for accurate modeling of mechanical properties of carbyne specifically taking in account bond alternation.

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