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>Ab initiocalculations of the vibronically averaged hyperfine coupling constants for the 1thinsp;2Pgr;uelectronic state of CH2+
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Ab initiocalculations of the vibronically averaged hyperfine coupling constants for the 1thinsp;2Pgr;uelectronic state of CH2+
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机译:Ab initiocalculations of the vibronically averaged hyperfine coupling constants for the 1thinsp;2Pgr;uelectronic state of CH2+
The results of pureabinitiocalculations of the hyperfine coupling constants for the 1thinsp;2Pgr;uelectronic state for various isotopomers of CH2+in the energy range between 0 and 20thinsp;000 cmminus;1are presented. Effects of vibronic and spinndash;orbit coupling are discussed.
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