Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Laura McKemmish"'
Publikováno v:
Physical Chemistry Chemical Physics
This work analyzes the accuracy of the coupled cluster with single, double, and perturbative triple excitation [CCSD(T)] method for predicting dipole moments. In particular, we benchmark CCSD(T) predictions for the equilibrium bond length, vibrationa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ae512fac94743474a67c14bc1bef3250
https://doi.org/10.1039/d2cp05060a
https://doi.org/10.1039/d2cp05060a
Autor:
Laura McKemmish, Anna-Maree Syme
Publikováno v:
Proceedings of the 2022 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db1bfe4e5446b9ae44f74f903d025ce2
https://doi.org/10.15278/isms.2022.rn08
https://doi.org/10.15278/isms.2022.rn08
Autor:
Juan Zapata Trujillo, Laura McKemmish
Publikováno v:
Proceedings of the 2022 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e48023adedbed5cf31cdf9a2ca7dd96a
https://doi.org/10.15278/isms.2022.ri04
https://doi.org/10.15278/isms.2022.ri04
Autor:
Armando Perri, Laura McKemmish
Publikováno v:
Proceedings of the 2022 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1d855eb512046094062b6417b063dd14
https://doi.org/10.15278/isms.2022.ri11
https://doi.org/10.15278/isms.2022.ri11