Quantum semiempirical parametrization of the molecular dynamics thermodynamics integration method in a case of the proton transfer reaction in the 2-[N,N-dimethylaminomethyl]-phenol
2000 ◽
Vol 87
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pp. 1-9
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Keyword(s):
1991 ◽
Vol 94
(5)
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pp. 3619-3628
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1999 ◽
Vol 103
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pp. 5105-5112
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2006 ◽
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pp. 244102
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2015 ◽
Vol 142
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pp. 174502
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2012 ◽
Vol 116
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pp. 832-838
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1991 ◽
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pp. 769-778
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Vol 141
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pp. 084509
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1994 ◽
Vol 98
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pp. 12506-12515
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