Fragment quantum chemical approach to geometry optimization and vibrational spectrum calculation of proteins
2016 ◽
Vol 18
(3)
◽
pp. 1864-1875
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Keyword(s):
Geometry optimization and vibrational spectra (infrared and Raman spectra) calculations of proteins are carried out by a quantum chemical approach using the EE-GMFCC (electrostatically embedded generalized molecular fractionation with conjugate caps) method (J. Phys. Chem. A, 2013, 117, 7149).
2013 ◽
Vol 103
◽
pp. 325-332
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2014 ◽
Vol 117
(2)
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pp. 240-249
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Keyword(s):
Keyword(s):
2012 ◽
Vol 1012
◽
pp. 105-112
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Keyword(s):
1961 ◽
Vol 26
(5)
◽
pp. 1221-1230
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1990 ◽
Vol 55
(6)
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pp. 1485-1490
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Keyword(s):
1967 ◽
Vol 47
(12)
◽
pp. 5253-5258
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Keyword(s):