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Quantum Dynamics of Complex Molecular Systems

✍ Scribed by William H. Miller


Publisher
John Wiley and Sons
Year
2005
Weight
8 KB
Volume
36
Category
Article
ISSN
0931-7597

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In this study, we present a new molecular dynamics program for simulation of complex molecular systems. The program, named ORAC, combines Ε½ . state-of-the-art molecular dynamics MD algorithms with flexibility in handling different types and sizes of molecules. ORAC is intended for simulations of mol