A Combined Car-Parrinello Quantum Mechanical-Molecular Mechanical Implementation for Ab Initio Molecular Dynamics Simulations of Extended Systems
1997 ◽
Vol 101
(40)
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pp. 7877-7880
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2012 ◽
Vol 18
(18)
◽
pp. 5612-5619
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1999 ◽
Vol 11
(28)
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pp. 5387-5398
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