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Results:
1-24
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Results: 24
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:
Bartlett, KL
Goldberg, KI
Borden, WT
Citation: Kl. Bartlett et al., Computational study of reductive elimination reactions to form C-H bonds from platinum(II) and platinum(IV) centers with strongly coordinating trimethylphosphine ligands, ORGANOMETAL, 20(13), 2001, pp. 2669-2678
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:
Rablen, PR
Paquette, LA
Borden, WT
Citation: Pr. Rablen et al., Why doesn't all-trans-1,2,3,4,5,6-hexaspiro(THF)cyclohexane complex metal ions? (vol 65, pg 9182, 2000), J ORG CHEM, 66(20), 2001, pp. 6838-6838
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
Authors:
Gritsan, NP
Likhotvorik, I
Tsao, ML
Celebi, N
Platz, MS
Karney, WL
Kemnitz, CR
Borden, WT
Citation: Np. Gritsan et al., Ring-expansion reaction of cyano-substituted singlet phenyl nitrenes: Theoretical predictions and kinetic results from laser flash photolysis and chemical trapping experiments, J AM CHEM S, 123(7), 2001, pp. 1425-1433
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:
Brown, EC
Borden, WT
Citation: Ec. Brown et Wt. Borden, What accounts for the remarkable difference between silabenzene and phosphabenzene in stability toward dimerization?, ORGANOMETAL, 19(11), 2000, pp. 2208-2214
Authors:
Rablen, PR
Paquette, LA
Borden, WT
Citation: Pr. Rablen et al., Why doesn't all-trans-1,2,3,4,5,6-hexaspiro(THF)cyclohexane complex metal ions?, J ORG CHEM, 65(26), 2000, pp. 9180-9185
Authors:
Zhang, DY
Borden, WT
Citation: Dy. Zhang et Wt. Borden, Why does formation of 1,3-dimethylenecyclobutane-2,4-diyl from 1,3-dimethylenecyclobutane show a large positive deviation from bond enthalpy additivity?, J MOL STRUC, 556(1-3), 2000, pp. 151-156
Authors:
Bartlett, KL
Goldberg, KI
Borden, WT
Citation: Kl. Bartlett et al., A computational study of reductive elimination reactions to form C-H bondsfrom Pt(II) and Pt(IV) centers. Why does ligand loss precede reductive elimination from six-coordinate but not four-coordinate platinum?, J AM CHEM S, 122(7), 2000, pp. 1456-1465
Authors:
Kemnitz, CR
Ellison, GB
Karney, WL
Borden, WT
Citation: Cr. Kemnitz et al., CASSCF and CASPT2 ab initio electronic structure calculations find singletmethylnitrene is an energy minimum, J AM CHEM S, 122(6), 2000, pp. 1098-1101
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:
Borden, WT
Gritsan, NP
Hadad, CM
Karney, WL
Kemnitz, CR
Platz, MS
Citation: Wt. Borden et al., The interplay of theory and experiment in the study of phenylnitrene, ACC CHEM RE, 33(11), 2000, pp. 765-771
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
Authors:
Borden, WT
Citation: Wt. Borden, Qualitative and quantitative predictions and measurements of singlet-triplet splittings in non-Kekule hydrocarbon diradicals and heteroatom derivatives, MAGNETIC PROPERTIES OF ORGANIC MATERIALS, 1999, pp. 61-102
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