Bonding and spectroscopic analyses of N2O-CS2 and N2O-OCS heterodimer complexes and their atmospheric consequences

作者:Begum Samiyara; Subramanian Ranga
来源:Physical Chemistry Chemical Physics, 2017, 19(38): 26412-26422.
DOI:10.1039/c7cp03936k

摘要

Different isomers of the valence isoelectronic pairs of the heterodimers N2O–SCS and N2O–OCS were investigated using MP2 and CCSD(T) methods with the aug-cc-pVXZ (X = D, T) basis set with anharmonic frequency calculations.

  • 出版日期2017-10-14
  • 单位Indian Institute of Technology

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