Simulations of infrared and Raman spectra in solution using the fragment molecular orbital method
2019 ◽
Vol 21
(25)
◽
pp. 13641-13652
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Keyword(s):
Calculation of IR and Raman spectra in solution for large molecular systems made possible with analytic FMO/PCM Hessians.
2016 ◽
Vol 120
(49)
◽
pp. 9794-9804
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2018 ◽
Vol 122
(15)
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pp. 3886-3898
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2014 ◽
Vol 10
(9)
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pp. 3689-3698
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Keyword(s):
2010 ◽
Vol 6
(4)
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pp. 1428-1444
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2015 ◽
Vol 11
(7)
◽
pp. 3053-3064
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2015 ◽
Vol 635
◽
pp. 86-92
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Keyword(s):
2006 ◽
Vol 110
(47)
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pp. 24276-24276
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2004 ◽
Vol 121
(6)
◽
pp. 2483
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