Quantum mechanical/molecular mechanical self-consistent Madelung potential method for treatment of polar molecular crystals
نویسندگان
چکیده
̈ 1, 2 ́ 3 GYORGY G. FERENCZY, GABOR I. CSONKA, ́ ́ ́ 4 ́ ́ ́ 5 GABOR NARAY-SZABO, JANOS G. ANGYAN 1 Chemical Works of Gedeon Richter Ltd., P.O. Box 27, H-1475 Budapest, Hungary 2 Department of Chemical Information Technology, Technical University of Budapest, Szent Gellert ter ́ ́ 4, H-1111 Budapest, Hungary 3 Department of Inorganic Chemistry, Technical University of Budapest, H-1521 Budapest, Hungary 4 Department of Theoretical Chemistry, Eotvos University Budapest, P.O. Box 32, H-1518 Budapest ̈ ̈ 112, Hungary 5 Laboratoire de Chimie Theorique, Universite Henri Poincare, CNRS URA 510, B.P. 239, F-54506 ́ ́ ́ Vandoeuvre-les-Nancy Cedex, France ` `
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عنوان ژورنال:
- Journal of Computational Chemistry
دوره 19 شماره
صفحات -
تاریخ انتشار 1998