Mineralogical Applications of Molecular Orbital Method.
نویسندگان
چکیده
منابع مشابه
A combined effective fragment potential-fragment molecular orbital method. I. The energy expression and initial applications.
The effective fragment potential (EFP) method, a model potential for treating solvent effects and other intermolecular interactions, is interfaced with an electronic structure method, the fragment molecular orbital (FMO) method, that is able to retain high accuracy for ab initio calculations on large molecular systems. The accuracy of the total energies in this novel combined FMO/EFP method is ...
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Morteza Torabi was born in 1995 in Hamedan, Iran. He received his B.Sc. in Applied Chemistry (2017) and M.Sc. in Organic Chemistry (2019) from Bu-Ali Sina University under the supervision of Professor Mohammad Ali Zolfigol. He is currently working towards his Ph.D. under the supervision of Professor Mohammad Ali Zolfigol at Bu-Ali Sina University. His research interest is the design, synthesis ...
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ژورنال
عنوان ژورنال: Journal of the Mineralogical Society of Japan
سال: 1992
ISSN: 1883-7018,0454-1146
DOI: 10.2465/gkk1952.21.223