Rotational thermodynamic parameters for symmetric-top, linear-top and spherical-top molecules: classical versus quantum approach and New analytical partition functions
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
https://link.springer.com/content/pdf/10.1007/s00214-020-02674-0.pdf
Reference43 articles.
1. Wu T, Werner H-J, Manthe U (2006) Accurate potential energy surface and quantum reaction rate calculations for the H+CH$$_4\rightarrow$$H$$_2$$+CH$$_3$$ reaction. J Chem Phys 124:164307
2. Fernández-Ramos A, Miller JA, Klippenstein SJ, Truhlar DG (2006) Modeling the kinetics of bimolecular reactions. Chem Rev 106:4518–4584
3. Weston RE, Nguyen TL, Stanton JF, Barker JR (2013) HO + CO reaction rates and H/D kinetic isotope effects: master equation models with ab initio SCTST rate constants. J Phys Chem A 117:821–835
4. Greene SM, Shan X, Clary DC (2016) An investigation of one-versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions. J Chem Phys 144:084113
5. Greene SM, Shan X, Clary DC (2016) Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension. J Chem Phys 144:244116
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