Matches in SemOpenAlex for { <https://semopenalex.org/work/W81683347> ?p ?o ?g. }
- W81683347 endingPage "29" @default.
- W81683347 startingPage "1" @default.
- W81683347 abstract "Abstract The mechanistic photodissociations of several series of aliphatic and aryl halides have been theoretically investigated using multireference ab initio calculations. The photodissociations of halomethanes were also investigated by spin–orbit ab initio calculations. Based on the calculated results of complete active space self-consistent field (CASSCF), CASSCF with second-order perturbation (CASPT2), multistate CASPT2 (MS-CASPT2), or MS-CASPT2 with spin–orbit interaction through complete active space state (MS-CASPT2/CASSI-SO), the experimentally observed photodissociation channels were clearly assigned, the photochemical and photophysical processes were quantitatively described. The photodissociation mechanisms of the targeted molecules were deeply discussed by high-quality potential energy curves (PECs) and critical points of the potential energy surfaces (PESs)." @default.
- W81683347 created "2016-06-24" @default.
- W81683347 creator A5082557734 @default.
- W81683347 creator A5087674282 @default.
- W81683347 date "2009-01-01" @default.
- W81683347 modified "2023-09-27" @default.
- W81683347 title "Chapter 1 Multireference and Spin–Orbit Calculations on Photodissociations of Hydrocarbon Halides" @default.
- W81683347 cites W1501465917 @default.
- W81683347 cites W1535511720 @default.
- W81683347 cites W1539318315 @default.
- W81683347 cites W1576978249 @default.
- W81683347 cites W1581105845 @default.
- W81683347 cites W1616053582 @default.
- W81683347 cites W1634613307 @default.
- W81683347 cites W1642683082 @default.
- W81683347 cites W1680061709 @default.
- W81683347 cites W1796263111 @default.
- W81683347 cites W1889761530 @default.
- W81683347 cites W1965747276 @default.
- W81683347 cites W1966015422 @default.
- W81683347 cites W1966495391 @default.
- W81683347 cites W1969159959 @default.
- W81683347 cites W1970168179 @default.
- W81683347 cites W1971194082 @default.
- W81683347 cites W1974820496 @default.
- W81683347 cites W1975351689 @default.
- W81683347 cites W1975827615 @default.
- W81683347 cites W1976773125 @default.
- W81683347 cites W1978101923 @default.
- W81683347 cites W1978212065 @default.
- W81683347 cites W1980245438 @default.
- W81683347 cites W1981737861 @default.
- W81683347 cites W1982368957 @default.
- W81683347 cites W1982933175 @default.
- W81683347 cites W1983621653 @default.
- W81683347 cites W1985120307 @default.
- W81683347 cites W1988103931 @default.
- W81683347 cites W1989732715 @default.
- W81683347 cites W1992687384 @default.
- W81683347 cites W1992821525 @default.
- W81683347 cites W1994784781 @default.
- W81683347 cites W1996911153 @default.
- W81683347 cites W1997041494 @default.
- W81683347 cites W1997641598 @default.
- W81683347 cites W1997661807 @default.
- W81683347 cites W1998112755 @default.
- W81683347 cites W1998114023 @default.
- W81683347 cites W2002394644 @default.
- W81683347 cites W2003294687 @default.
- W81683347 cites W2004422388 @default.
- W81683347 cites W2006132459 @default.
- W81683347 cites W2006548588 @default.
- W81683347 cites W2007203783 @default.
- W81683347 cites W2007476501 @default.
- W81683347 cites W2008398431 @default.
- W81683347 cites W2010858159 @default.
- W81683347 cites W2012778107 @default.
- W81683347 cites W2015656076 @default.
- W81683347 cites W2017344081 @default.
- W81683347 cites W2020659146 @default.
- W81683347 cites W2023071471 @default.
- W81683347 cites W2023199963 @default.
- W81683347 cites W2024338785 @default.
- W81683347 cites W2024524738 @default.
- W81683347 cites W2028236887 @default.
- W81683347 cites W2028742348 @default.
- W81683347 cites W2031496302 @default.
- W81683347 cites W2032596076 @default.
- W81683347 cites W2035283393 @default.
- W81683347 cites W2041077468 @default.
- W81683347 cites W2042117056 @default.
- W81683347 cites W2044206314 @default.
- W81683347 cites W2045383809 @default.
- W81683347 cites W2045777394 @default.
- W81683347 cites W2046506151 @default.
- W81683347 cites W2049068624 @default.
- W81683347 cites W2051291733 @default.
- W81683347 cites W2053337631 @default.
- W81683347 cites W2053347844 @default.
- W81683347 cites W2053572661 @default.
- W81683347 cites W2054439029 @default.
- W81683347 cites W2058206975 @default.
- W81683347 cites W2058465572 @default.
- W81683347 cites W2060043367 @default.
- W81683347 cites W2062032590 @default.
- W81683347 cites W2062599236 @default.
- W81683347 cites W2063000833 @default.
- W81683347 cites W2063020586 @default.
- W81683347 cites W2063443172 @default.
- W81683347 cites W2063622499 @default.
- W81683347 cites W2064577912 @default.
- W81683347 cites W2065211026 @default.
- W81683347 cites W2065285385 @default.
- W81683347 cites W2065611146 @default.
- W81683347 cites W2067382863 @default.
- W81683347 cites W2068668198 @default.
- W81683347 cites W2070512886 @default.
- W81683347 cites W2072387365 @default.