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Results:
1-15
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Results: 15
Authors:
Fleming, I
Hrovat, DA
Borden, WT
Citation: I. Fleming et al., The origin of Felkin-Anh control from an electropositive substituent adjacent to the carbonyl group, J CHEM S P2, (3), 2001, pp. 331-338
Authors:
Wenk, HH
Balster, A
Sander, W
Hrovat, DA
Borden, WT
Citation: Hh. Wenk et al., Matrix isolation of perfluorinated p-benzyne, ANGEW CHEM, 40(12), 2001, pp. 2295
Authors:
Hrovat, DA
Williams, RV
Goren, AC
Borden, WT
Citation: Da. Hrovat et al., B3LYP calculations on bishomoaromaticity in substituted semibullvalenes, J COMPUT CH, 22(13), 2001, pp. 1565-1573
Authors:
Hrovat, DA
Borden, WT
Eaton, PE
Kahr, B
Citation: Da. Hrovat et al., A computational study of the interactions among the nitro groups in octanitrocubane, J AM CHEM S, 123(7), 2001, pp. 1289-1293
C-N bond formation on addition of aryl carbanions to the electrophilic nitrido ligand in TpOs(N)Cl-2
Authors:
Crevier, TJ
Bennett, BK
Soper, JD
Bowman, JA
Dehestani, A
Hrovat, DA
Lovell, S
Kaminsky, W
Mayer, JM
Citation: Tj. Crevier et al., C-N bond formation on addition of aryl carbanions to the electrophilic nitrido ligand in TpOs(N)Cl-2, J AM CHEM S, 123(6), 2001, pp. 1059-1071
Authors:
Hrovat, DA
Borden, WT
Citation: Da. Hrovat et Wt. Borden, CASSCF and CASPT2 calculations on the cleavage and ring inversion of bicyclo[2.2.0]hexane find that these reactions involve formation of a common twist-boat diradical intermediate, J AM CHEM S, 123(17), 2001, pp. 4069-4072
Authors:
Bally, T
Hrovat, DA
Borden, WT
Citation: T. Bally et al., Attempts to model neutral solitons in polyacetylene by ab initio and density functional methods. The nature of the spin distribution in polyenyl radicals, PHYS CHEM P, 2(15), 2000, pp. 3363-3371
Authors:
Hrovat, DA
Chen, JG
Houk, KN
Borden, WT
Citation: Da. Hrovat et al., Cooperative and competitive substituent effects on the Cope rearrangementsof phenyl-substituted 1,5-hexadienes elucidated by Becke3LYP/6-31Gcalculations, J AM CHEM S, 122(31), 2000, pp. 7456-7460
Authors:
Johnson, WTG
Hrovat, DA
Skancke, A
Borden, WT
Citation: Wtg. Johnson et al., Ab initio calculations find 2,2-disilylcyclopentane-1,3-diyl is a singlet diradical with a high barrier to ring closure, THEOR CH AC, 102(1-6), 1999, pp. 207-225
Authors:
Skancke, PN
Hrovat, DA
Borden, WT
Citation: Pn. Skancke et al., Computational study of isomerization reactions of silacyclopropene, J PHYS CH A, 103(20), 1999, pp. 4043-4048
Authors:
Rablen, PR
Hoffman, RW
Hrovat, DA
Borden, WT
Citation: Pr. Rablen et al., Is hyperconjugation responsible for the "gauche effect" in 1-fluoropropaneand other 2-substituted-1-fluoroethanes?, J CHEM S P2, (8), 1999, pp. 1719-1726
Authors:
Lewis, SB
Hrovat, DA
Getty, SJ
Borden, WT
Citation: Sb. Lewis et al., Ab initio calculations of the potential surfaces for rearrangement of methylenecyclopropane and 2,2-difluoromethylenecyclopropane. Why do the geminalfluorines have little effect on lowering the activation energy?, J CHEM S P2, (11), 1999, pp. 2339-2347
Authors:
Hrovat, DA
Beno, BR
Lange, H
Yoo, HY
Houk, KN
Borden, WT
Citation: Da. Hrovat et al., A Becke3LYP/6-31Gstudy of the cope rearrangements of substituted 1,5-hexadienes provides computational evidence for a chameleonic transition state, J AM CHEM S, 121(45), 1999, pp. 10529-10537
Authors:
Johnson, WTG
Hrovat, DA
Borden, WT
Citation: Wtg. Johnson et al., Ab initio calculations on spiropentane stereomutations lead to a reinterpretation of the experimental results, J AM CHEM S, 121(34), 1999, pp. 7766-7772
Authors:
Hrovat, DA
Duncan, JA
Borden, WT
Citation: Da. Hrovat et al., Ab initio and DFT calculations on the Cope rearrangement of 1,2,6-heptatriene, J AM CHEM S, 121(1), 1999, pp. 169-175
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