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Coolidge, Michael B., Yamashita, Koichi, Morokuma, Keiji, Borden, Weston Thatcher (1990) Ab initio MCSCF and CI calculations of the singlet-triplet energy differences in oxyallyl and in dimethyloxyallyl. Journal Of The American Chemical Society, 112 (5) 1751-1754 doi:10.1021/ja00161a015

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Reference TypeJournal (article/letter/editorial)
TitleAb initio MCSCF and CI calculations of the singlet-triplet energy differences in oxyallyl and in dimethyloxyallyl
JournalJournal Of The American Chemical Society
AuthorsCoolidge, Michael B.Author
Yamashita, KoichiAuthor
Morokuma, KeijiAuthor
Borden, Weston ThatcherAuthor
Year1990 (February)Volume112
Issue5
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00161a015Search in ResearchGate
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Mindat Ref. ID1446554Long-form Identifiermindat:1:5:1446554:5
GUID0
Full ReferenceCoolidge, Michael B., Yamashita, Koichi, Morokuma, Keiji, Borden, Weston Thatcher (1990) Ab initio MCSCF and CI calculations of the singlet-triplet energy differences in oxyallyl and in dimethyloxyallyl. Journal Of The American Chemical Society, 112 (5) 1751-1754 doi:10.1021/ja00161a015
Plain TextCoolidge, Michael B., Yamashita, Koichi, Morokuma, Keiji, Borden, Weston Thatcher (1990) Ab initio MCSCF and CI calculations of the singlet-triplet energy differences in oxyallyl and in dimethyloxyallyl. Journal Of The American Chemical Society, 112 (5) 1751-1754 doi:10.1021/ja00161a015
In(1990, February) Journal Of The American Chemical Society Vol. 112 (5) American Chemical Society (ACS)

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Coolidge, Michael B., Borden, Weston Thatcher (1990) Ab initio calculations on borylphosphines: prediction of a synergistic substituent effect in diborylphosphine. Journal Of The American Chemical Society, 112 (5) 1704-1706 doi:10.1021/ja00161a008
Du, Ping, Hrovat, David A., Borden, Weston Thatcher (1989) Ab initio calculations of the singlet-triplet energy differences in planar 2,4-dimethylenecyclobutane-1,3-diyl and in mono- and dioxo derivatives. Journal Of The American Chemical Society, 111 (11) 3773-3778 doi:10.1021/ja00193a001
Hrovat, David A., Waali, Edward E., Borden, Weston Thatcher (1992) Ab initio calculations of the singlet-triplet energy difference in phenylnitrene. Journal Of The American Chemical Society, 114 (22) 8698-8699 doi:10.1021/ja00048a052
Du, Ping., Hrovat, David A., Borden, Weston Thatcher. (1986) Ab initio calculations of the singlet-triplet energy separation in 3,4-dimethylenefuran and related diradicals. Journal Of The American Chemical Society, 108 (25) 8086-8087 doi:10.1021/ja00285a034
Coolidge, Michael B., Hrovat, David A., Borden, Weston Thatcher (1992) Ab initio calculations on silicon analogs of the allyl radical. Journal Of The American Chemical Society, 114 (7) 2354-2359 doi:10.1021/ja00033a009
Osamura, Yoshihiro, Borden, Weston T., Morokuma, Keiji (1984) Structure and stability of oxyallyl. An MCSCF study. Journal Of The American Chemical Society, 106 (18) 5112-5115 doi:10.1021/ja00330a013
Hrovat, David A., Morokuma, Keiji, Borden, Weston Thatcher (1994) The Cope Rearrangement Revisited Again. Results of Ab Initio Calculations beyond the CASSCF Level. Journal Of The American Chemical Society, 116 (3) 1072-1076 doi:10.1021/ja00082a032
Hrovat, David A., Borden, Weston Thatcher, Vance, Robert L., Rondan, Nelson G., Houk, K. N., Morokuma, Keiji (1990) Ab initio calculation of the effects of cyano substituents on the Cope rearrangement. Journal Of The American Chemical Society, 112 (5) 2018-2019 doi:10.1021/ja00161a067
Morokuma, Keiji, Borden, Weston Thatcher (1991) Ab initio calculations on (H3P)2Pt(C2H4) The effect of alkene pyramidalization on internal rotation and alkene binding energies. Journal Of The American Chemical Society, 113 (6) 1912-1914 doi:10.1021/ja00006a007
Coolidge, Michael B., Borden, Weston Thatcher. (1988) Ab initio calculations of the effects of substituents on the stabilization of silyl radicals versus methyl radicals. Journal Of The American Chemical Society, 110 (7) 2298-2299 doi:10.1021/ja00215a049
Hammons, James H., Coolidge, Michael B., Borden, Weston Thatcher. (1990) Ab initio calculations of the barrier to CF2 rotation in 1,1,3,3-tetrafluoropropenyl radical. The Journal of Physical Chemistry, 94 (14). 5468-5470 doi:10.1021/j100377a009
 
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