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Gruschus, James M., Kuki, Atsuo (1990) Partial charges by multipole constraint. Application to the amino acids. Journal of Computational Chemistry, 11 (8). 978-993 doi:10.1002/jcc.540110810

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Reference TypeJournal (article/letter/editorial)
TitlePartial charges by multipole constraint. Application to the amino acids
JournalJournal of Computational Chemistry
AuthorsGruschus, James M.Author
Kuki, AtsuoAuthor
Year1990 (September)Volume11
Issue8
PublisherWiley
DOIdoi:10.1002/jcc.540110810Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3145604Long-form Identifiermindat:1:5:3145604:9
GUID0
Full ReferenceGruschus, James M., Kuki, Atsuo (1990) Partial charges by multipole constraint. Application to the amino acids. Journal of Computational Chemistry, 11 (8). 978-993 doi:10.1002/jcc.540110810
Plain TextGruschus, James M., Kuki, Atsuo (1990) Partial charges by multipole constraint. Application to the amino acids. Journal of Computational Chemistry, 11 (8). 978-993 doi:10.1002/jcc.540110810
In(1990, September) Journal of Computational Chemistry Vol. 11 (8) Wiley

See Also

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Gruschus, James M., Kuki, Atsuo (1999) Ellipsoidal Delocalization of Tunneling Electrons in Long-Range Electron Transfer Proteins. The Journal of Physical Chemistry B, 103 (51). 11407-11414 doi:10.1021/jp9925280
Gruschus, James M., Kuki, Atsuo (1993) New Hamiltonian model for long-range electronic superexchange in complex molecular structures. The Journal of Physical Chemistry, 97 (21). 5581-5593 doi:10.1021/j100123a021
Ferenczy, Gy�rgy G. (1991) Charges derived from distributed multipole series. Journal of Computational Chemistry, 12 (8). 913-917 doi:10.1002/jcc.540120802
Orozco, M., Luque, F. J. (1990) On the use of AM1 and MNDO wave functions to compute accurate electrostatic charges. Journal of Computational Chemistry, 11 (8). 909-923 doi:10.1002/jcc.540110803
(1990) Masthead. Journal of Computational Chemistry, 11 (8). doi:10.1002/jcc.540110801
Gruschus, James M., Kuki, Atsuo (1992) Modelling ab initio non-bonded interactions for sigma bond, pi bond, and lone pair orbitals. Chemical Physics Letters, 192. 205-212 doi:10.1016/0009-2614(92)85453-h
Katagi, Toshiyuki (1990) AM1 study of acid-catalyzed hydrolysis of maleamic (4-amino-4-oxo-2-butenoic) acids. Journal of Computational Chemistry, 11 (9). 1094-1100 doi:10.1002/jcc.540110913
Shen, Jian, Wong, Chung F., Subramaniam, Shankar, Albright, Thomas A., McCammon, J. Andrew (1990) Partial electrostatic charges for the active center of Cu, Zn superoxide dismutase. Journal of Computational Chemistry, 11 (3). 346-350 doi:10.1002/jcc.540110309
Besler, Brent H., Merz, Kenneth M., Kollman, Peter A. (1990) Atomic charges derived from semiempirical methods. Journal of Computational Chemistry, 11 (4). 431-439 doi:10.1002/jcc.540110404
Basma, M., Sundara, S., Çalgan, D., Vernali, T., Woods, R. J. (2001) Solvated ensemble averaging in the calculation of partial atomic charges. Journal of Computational Chemistry, 22 (11). 1125-1137 doi:10.1002/jcc.1072
Head, John D. (1990) Partial optimization of large molecules and clusters. Journal of Computational Chemistry, 11 (1). 67-75 doi:10.1002/jcc.540110108
 
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