Two-level stochastic search of low-energy conformers for molecular spectroscopy: implementation and validation of MM and QM models
2019 ◽
Vol 21
(36)
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pp. 19921-19934
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Keyword(s):
The search for stationary points in the molecular potential energy surfaces (PES) is a problem of increasing relevance in molecular sciences especially for large, flexible systems featuring several large-amplitude internal motions.
2011 ◽
Vol 49
(9)
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pp. 1915-1927
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1986 ◽
pp. 243-251
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2004 ◽
Vol 121
(20)
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pp. 9769-9775
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2016 ◽
Vol 145
(8)
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pp. 084104
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2019 ◽
Vol 15
(8)
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pp. 4386-4398
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2011 ◽
Vol 268
(1-2)
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pp. 123-129
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1998 ◽
Vol 19
(11)
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pp. 1255-1267
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2000 ◽
Vol 43
(3)
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pp. 247-252
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1998 ◽
Vol 29
(6)
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pp. 489-500
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