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Park, Je Myung, Tai No, Kyoung, Jhon, Mu Shik, Scheraga, Harold A. (1993) Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. III. Application to halogenated and aromatic molecules. Journal of Computational Chemistry, 14 (12). 1482-1490 doi:10.1002/jcc.540141210

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Reference TypeJournal (article/letter/editorial)
TitleDetermination of net atomic charges using a modified partial equalization of orbital electronegativity method. III. Application to halogenated and aromatic molecules
JournalJournal of Computational Chemistry
AuthorsPark, Je MyungAuthor
Tai No, KyoungAuthor
Jhon, Mu ShikAuthor
Scheraga, Harold A.Author
Year1993 (December)Volume14
Issue12
PublisherWiley
DOIdoi:10.1002/jcc.540141210Search in ResearchGate
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Mindat Ref. ID3146025Long-form Identifiermindat:1:5:3146025:5
GUID0
Full ReferencePark, Je Myung, Tai No, Kyoung, Jhon, Mu Shik, Scheraga, Harold A. (1993) Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. III. Application to halogenated and aromatic molecules. Journal of Computational Chemistry, 14 (12). 1482-1490 doi:10.1002/jcc.540141210
Plain TextPark, Je Myung, Tai No, Kyoung, Jhon, Mu Shik, Scheraga, Harold A. (1993) Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. III. Application to halogenated and aromatic molecules. Journal of Computational Chemistry, 14 (12). 1482-1490 doi:10.1002/jcc.540141210
In(1993, December) Journal of Computational Chemistry Vol. 14 (12) Wiley

See Also

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Park, Je Myung, Kwon, Oh Young, No, Kyoung Tai, Jhon, Mu Shik, Scheraga, Harold A. (1995) Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. IV. Application to hypervalent sulfur- and phosphorus-containing molecules. Journal of Computational Chemistry, 16 (8). 1011-1026 doi:10.1002/jcc.540160808
No, Kyoung Tai., Grant, J. Andrew., Jhon, Mu Shik., Scheraga, Harold A. (1990) Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. 2. Application to ionic and aromatic molecules as models for polypeptides. The Journal of Physical Chemistry, 94 (11). 4740-4746 doi:10.1021/j100374a067
No, Kyoung Tai., Grant, J. Andrew., Scheraga, Harold A. (1990) Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. 1. Application to neutral molecules as models for polypeptides. The Journal of Physical Chemistry, 94 (11). 4732-4739 doi:10.1021/j100374a066
No, Kyoung Tai, Cho, Kwang Hwi, Jhon, Mu Shik, Scheraga, Harold A. (1993) An empirical method to calculate average molecular polarizabilities from the dependence of effective atomic polarizabilities on net atomic charge. Journal Of The American Chemical Society, 115 (5) 2005-2014 doi:10.1021/ja00058a056
No, Kyoung Tai, Seo, Byung Hee, Park, Je Myung, Jhon, Mu Shik (1988) Lattice vibrational calculation of A-type zeolite. The Journal of Physical Chemistry, 92 (23). 6783-6789 doi:10.1021/j100334a057
No, Kyoung Tai, Cho, Kwang Hwi, Kwon, Oh Young, Jhon, Mu Shik, Scheraga, Harold A. (1994) Determination of Proton Transfer Energies and Lattice Energies of Several Amino Acid Zwitterions. The Journal of Physical Chemistry, 98 (42). 10742-10749 doi:10.1021/j100093a012
Kwon, Oh Young, Kim, Su Yeon, No, Kyoung Tai, Kang, Young Kee, Jhon, Mu Shik, Scheraga, Harold A. (1996) Determination of Potential Parameters for Amino Acid Zwitterions. The Journal of Physical Chemistry, 100 (44). 17670-17677 doi:10.1021/jp961180v
No, Kyoung Tai, Jhon, Mu Shik (1983) Molecular orbital calculation of several ices using pseudolattice method. The Journal of Physical Chemistry, 87 (2). 226-231 doi:10.1021/j100225a010
No, Kyoung Tai, Kwon, Oh Young, Kim, Su Yeon, Cho, Kwang Hwi, Yoon, Chang No, Kang, Young Kee, Gibson, Kenneth D., Jhon, Mu Shik, Scheraga, Harold A. (1995) Determination of Nonbonded Potential Parameters for Peptides. The Journal of Physical Chemistry, 99 (34). 13019-13027 doi:10.1021/j100034a049
Berente, Imre, Czinki, Eszter, Náray-szabó, Gábor (2007) A combined electronegativity equalization and electrostatic potential fit method for the determination of atomic point charges. Journal of Computational Chemistry, 28 (12). 1936-1942 doi:10.1002/jcc.20676
Cho, Kwang-Hwi, Kang, Young Kee, No, Kyoung Tai, Scheraga, Harold A. (2001) A Fast Method for Calculating Geometry-Dependent Net Atomic Charges for Polypeptides. The Journal of Physical Chemistry B, 105 (17). 3624-3634 doi:10.1021/jp0023213
 
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