Efficient computation of free energy surfaces of chemical reactions using
ab initio
molecular dynamics with hybrid functionals and plane waves
2020 ◽
Vol 41
(19)
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pp. 1790-1797
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2002 ◽
Vol 4
(11)
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pp. 2119-2122
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Keyword(s):
2020 ◽
2001 ◽
Vol 105
(24)
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pp. 5804-5817
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Keyword(s):
2000 ◽
Vol 113
(12)
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pp. 4863
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2004 ◽
Vol 120
(9)
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pp. 4333-4343
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2000 ◽
Vol 77
(1)
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pp. 44-53
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Keyword(s):
2005 ◽
Vol 414
(1-3)
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pp. 161-165
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Keyword(s):
2016 ◽
Vol 144
(16)
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pp. 164101
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Keyword(s):