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Ab initio Study on the Intermolecular Interaction and Thermodynamic Properties of Methyl Nitrate Dimer

โœ Scribed by Jin-Zhi Tan; He-Ming Xiao; Xue-Dong Gong; Jin-Shan Li


Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
398 KB
Volume
19
Category
Article
ISSN
0256-7660

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## Abstract Theoretical studies on BC~__n__~ (__n__=1โ€“6) clusters are carried out using density functional theory, Mรธllerโ€“Plesset secondโ€order perturbation theory (MP2), coupledโ€cluster calculations including up to triple excitations (CCSD(T)), and higherโ€level approaches. All possible isomers depe