Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water
2000 ◽
Vol 21
(16)
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pp. 1458-1469
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1975 ◽
Vol 30
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pp. 293-295
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2000 ◽
Vol 104
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pp. 3012-3020
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1995 ◽
Vol 99
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pp. 16558-16565
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1994 ◽
Vol 69
(1)
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pp. 65-71
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2003 ◽
Vol 178
(4)
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pp. 869-880
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1998 ◽
Vol 181
(1-3)
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pp. 151-157
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2019 ◽
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1988 ◽
Vol 92
(20)
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pp. 5656-5666
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