Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Ab Initio Molecular Dynamics II: Extensions to the Isobaric–Isoenthalpic and Isobaric–Isothermal Ensembles
2020 ◽
Vol 16
(6)
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pp. 3757-3785
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2019 ◽
2019 ◽
Vol 123
(34)
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pp. 20893-20902
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2001 ◽
Vol 546
(1-3)
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pp. 89-97
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1998 ◽
Vol 428
(1-3)
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pp. 61-66
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2000 ◽
Vol 113
(22)
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pp. 10062-10067
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1999 ◽
Vol 459
(1-3)
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pp. 23-27
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2000 ◽
Vol 507
(1-3)
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pp. 11-16
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1998 ◽
Vol 453
(1-3)
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pp. 149-152
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