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Results: 1-25 | 26-50
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EFFECTS OF ELECTRON DONATION INTO C-F SIGMA-ASTERISK ORBITALS - EXPLANATIONS, PREDICTIONS AND EXPERIMENTAL TESTS
Authors: BORDEN WT
Citation: Wt. Borden, EFFECTS OF ELECTRON DONATION INTO C-F SIGMA-ASTERISK ORBITALS - EXPLANATIONS, PREDICTIONS AND EXPERIMENTAL TESTS, Chemical communications, (18), 1998, pp. 1919-1925
THE EFFECTS OF HETEROATOM SUBSTITUTION ON THE SINGLET-TRIPLET ENERGY DIFFERENCES IN DIRADICALS - AB-INITIO CALCULATIONS OF DELTA-E-ST IN META-BENZOQUINOMETHANE AND IN 1,3-NAPHTHOQUINOMETHANE
Authors: HROVAT DA MURCKO MA LAHTI PM BORDEN WT
Citation: Da. Hrovat et al., THE EFFECTS OF HETEROATOM SUBSTITUTION ON THE SINGLET-TRIPLET ENERGY DIFFERENCES IN DIRADICALS - AB-INITIO CALCULATIONS OF DELTA-E-ST IN META-BENZOQUINOMETHANE AND IN 1,3-NAPHTHOQUINOMETHANE, Perkin transactions. 2, (5), 1998, pp. 1037-1044
ISOTOPE EFFECTS ON THE RING INVERSION OF CYCLOOCTATETRAENE
Authors: STEVENSON CD BROWN EC HROVAT DA BORDEN WT
Citation: Cd. Stevenson et al., ISOTOPE EFFECTS ON THE RING INVERSION OF CYCLOOCTATETRAENE, Journal of the American Chemical Society, 120(34), 1998, pp. 8864-8867
TRANSIENT SPECTROSCOPY OF A DERIVATIVE OF 2,2-DIFLUORO-1,3-DIPHENYLCYCLOPENTANE-1,3-DIYL - A PERSISTENT LOCALIZED SINGLET 1,3-DIRADICAL
Authors: ADAM W BORDEN WT BURDA C FOSTER H HEIDENFELDER T HEUBES M HROVAT DA KITA F LEWIS SB SCHEUTZOW D WIRZ J
Citation: W. Adam et al., TRANSIENT SPECTROSCOPY OF A DERIVATIVE OF 2,2-DIFLUORO-1,3-DIPHENYLCYCLOPENTANE-1,3-DIYL - A PERSISTENT LOCALIZED SINGLET 1,3-DIRADICAL, Journal of the American Chemical Society, 120(3), 1998, pp. 593-594
AB-INITIO CALCULATIONS OF THE EFFECTS OF GEMINAL SILYL SUBSTITUENTS ON THE STEREOMUTATION OF CYCLOPROPANE AND ON THE SINGLET-TRIPLET SPLITTING IN TRIMETHYLENE
Authors: SKANCKE A HROVAT DA BORDEN WT
Citation: A. Skancke et al., AB-INITIO CALCULATIONS OF THE EFFECTS OF GEMINAL SILYL SUBSTITUENTS ON THE STEREOMUTATION OF CYCLOPROPANE AND ON THE SINGLET-TRIPLET SPLITTING IN TRIMETHYLENE, Journal of the American Chemical Society, 120(28), 1998, pp. 7079-7084
EXPERIMENTAL-STUDY OF THE STEREOMUTATION OF 1,1-DIFLUORO-2-ETHYL-3-METHYLCYCLOPROPANE CONFIRMS THE PREDICTED PREFERENCE FOR DISROTATORY RING-OPENING AND CLOSURE
Authors: TIAN F LEWIS SB BARTBERGER MD DOLBIER WR BORDEN WT
Citation: F. Tian et al., EXPERIMENTAL-STUDY OF THE STEREOMUTATION OF 1,1-DIFLUORO-2-ETHYL-3-METHYLCYCLOPROPANE CONFIRMS THE PREDICTED PREFERENCE FOR DISROTATORY RING-OPENING AND CLOSURE, Journal of the American Chemical Society, 120(24), 1998, pp. 6187-6188
INVESTIGATION OF CYCLOPROPANE STEREOMUTATION BY QUASI-CLASSICAL TRAJECTORIES ON AN ANALYTICAL POTENTIAL-ENERGY SURFACE (VOL 119, PG 5253, 1997)
Authors: HROVAT DA FANG S BORDEN WT CARPENTER BK
Citation: Da. Hrovat et al., INVESTIGATION OF CYCLOPROPANE STEREOMUTATION BY QUASI-CLASSICAL TRAJECTORIES ON AN ANALYTICAL POTENTIAL-ENERGY SURFACE (VOL 119, PG 5253, 1997), Journal of the American Chemical Society, 120(22), 1998, pp. 5603-5603
WHY ARE NITRENES MORE STABLE THAN CARBENES - AN AB-INITIO STUDY
Authors: KEMNITZ CR KARNEY WL BORDEN WT
Citation: Cr. Kemnitz et al., WHY ARE NITRENES MORE STABLE THAN CARBENES - AN AB-INITIO STUDY, Journal of the American Chemical Society, 120(14), 1998, pp. 3499-3503
SINGLET AND TRIPLET EXCITED-STATES OF A PYRAMIDALIZED ALKENE - ELECTRON-ENERGY-LOSS SPECTRA, PHOTOELECTRON-SPECTRA, AND CALCULATIONS OF THEEXCITED-STATES OF TRICYCLO[3.3.3.0(3,7)]UNDEC-3(7)-ENE
Authors: BULLIARD C ALLAN M SMITH JM HROVAT DA BORDEN WT GRIMME S
Citation: C. Bulliard et al., SINGLET AND TRIPLET EXCITED-STATES OF A PYRAMIDALIZED ALKENE - ELECTRON-ENERGY-LOSS SPECTRA, PHOTOELECTRON-SPECTRA, AND CALCULATIONS OF THEEXCITED-STATES OF TRICYCLO[3.3.3.0(3,7)]UNDEC-3(7)-ENE, Chemical physics, 225(1-3), 1997, pp. 153-161
VIOLATIONS OF HUND RULE IN MOLECULES - WHERE TO LOOK FOR THEM AND HOWTO IDENTIFY THEM
Authors: HROVAT DA BORDEN WT
Citation: Da. Hrovat et Wt. Borden, VIOLATIONS OF HUND RULE IN MOLECULES - WHERE TO LOOK FOR THEM AND HOWTO IDENTIFY THEM, Journal of molecular structure. Theochem, 398, 1997, pp. 211-220
AB-INITIO CALCULATIONS ON THE INTERCONVERSION OF HOMOCUB-1(9)-ENE ANDHOMOCUB-9-YLIDENE
Authors: HROVAT DA BORDEN WT
Citation: Da. Hrovat et Wt. Borden, AB-INITIO CALCULATIONS ON THE INTERCONVERSION OF HOMOCUB-1(9)-ENE ANDHOMOCUB-9-YLIDENE, Molecular physics, 91(5), 1997, pp. 891-895
AB-INITIO STUDY OF THE RING EXPANSION OF PHENYLNITRENE AND COMPARISONWITH THE RING EXPANSION OF PHENYLCARBENE
Authors: KARNEY WL BORDEN WT
Citation: Wl. Karney et Wt. Borden, AB-INITIO STUDY OF THE RING EXPANSION OF PHENYLNITRENE AND COMPARISONWITH THE RING EXPANSION OF PHENYLCARBENE, Journal of the American Chemical Society, 119(6), 1997, pp. 1378-1387
CALCULATIONS OF THE EQUILIBRIUM ISOTOPE EFFECTS ON THE REDUCTIONS OF BENZENE-D(6) AND CYCLOOCTATETRAENE-D(8)
Authors: HROVAT DA HAMMONS JH STEVENSON CD BORDEN WT
Citation: Da. Hrovat et al., CALCULATIONS OF THE EQUILIBRIUM ISOTOPE EFFECTS ON THE REDUCTIONS OF BENZENE-D(6) AND CYCLOOCTATETRAENE-D(8), Journal of the American Chemical Society, 119(40), 1997, pp. 9523-9526
AB-INITIO CALCULATIONS ON THE PREFERRED MODE OF RING-OPENING IN SILACYCLOPROPANE
Authors: SKANCKE PN HROVAT DA BORDEN WT
Citation: Pn. Skancke et al., AB-INITIO CALCULATIONS ON THE PREFERRED MODE OF RING-OPENING IN SILACYCLOPROPANE, Journal of the American Chemical Society, 119(34), 1997, pp. 8012-8014
AB-INITIO CALCULATIONS ON 1,3,5,-TRIMETHYLENEBENZENE AND ITS NEGATIVE-ION PROVIDE PREDICTIONS ABOUT THE PHOTOELECTRON-SPECTRUM OF THE ION
Authors: KEMNITZ CR SQUIRES RR BORDEN WT
Citation: Cr. Kemnitz et al., AB-INITIO CALCULATIONS ON 1,3,5,-TRIMETHYLENEBENZENE AND ITS NEGATIVE-ION PROVIDE PREDICTIONS ABOUT THE PHOTOELECTRON-SPECTRUM OF THE ION, Journal of the American Chemical Society, 119(28), 1997, pp. 6564-6574
ANNELATED SEMIBULLVALENES - A THEORETICAL-STUDY OF HOW THEY COPE WITHSTRAIN
Authors: JIAO HJ NAGELKERKE R KURTZ HA WILLIAMS RV BORDEN WT SCHLEYER PV
Citation: Hj. Jiao et al., ANNELATED SEMIBULLVALENES - A THEORETICAL-STUDY OF HOW THEY COPE WITHSTRAIN, Journal of the American Chemical Society, 119(25), 1997, pp. 5921-5929
WHY ARE METHYLENECYCLOPROPANE AND 1-METHYLCYLOPROPENE MORE STRAINED THAN METHYLCYCLOPROPANE
Authors: JOHNSON WTG BORDEN WT
Citation: Wtg. Johnson et Wt. Borden, WHY ARE METHYLENECYCLOPROPANE AND 1-METHYLCYLOPROPENE MORE STRAINED THAN METHYLCYCLOPROPANE, Journal of the American Chemical Society, 119(25), 1997, pp. 5930-5933
INVESTIGATION OF CYCLOPROPANE STEREOMUTATION BY QUASI-CLASSICAL TRAJECTORIES ON AN ANALYTICAL POTENTIAL-ENERGY SURFACE
Authors: HROVAT DA FANG S BORDEN WT CARPENTER BK
Citation: Da. Hrovat et al., INVESTIGATION OF CYCLOPROPANE STEREOMUTATION BY QUASI-CLASSICAL TRAJECTORIES ON AN ANALYTICAL POTENTIAL-ENERGY SURFACE, Journal of the American Chemical Society, 119(22), 1997, pp. 5253-5254
WHY DOES O-FLUORINE SUBSTITUTION RAISE THE BARRIER TO RING EXPANSION OF PHENYLNITRENE
Authors: KARNEY WL BORDEN WT
Citation: Wl. Karney et Wt. Borden, WHY DOES O-FLUORINE SUBSTITUTION RAISE THE BARRIER TO RING EXPANSION OF PHENYLNITRENE, Journal of the American Chemical Society, 119(14), 1997, pp. 3347-3350
SYNTHESIS OF ALKENES WITH PYRAMIDALIZED DOUBLE-BONDS - UNNATURAL PRODUCTS OF THEORETICAL INTEREST
Authors: BORDEN WT
Citation: Wt. Borden, SYNTHESIS OF ALKENES WITH PYRAMIDALIZED DOUBLE-BONDS - UNNATURAL PRODUCTS OF THEORETICAL INTEREST, Synlett, (8), 1996, pp. 711
TRANSITION-STATE SPECTROSCOPY OF CYCLOOCTATETRAENE
Authors: WENTHOLD PG HROVAT DA BORDEN WT LINEBERGER WC
Citation: Pg. Wenthold et al., TRANSITION-STATE SPECTROSCOPY OF CYCLOOCTATETRAENE, Science, 272(5267), 1996, pp. 1456-1459
CARBENE REARRANGEMENTS UNSURPASSED - DETAILS OF THE C7H6 POTENTIAL-ENERGY SURFACE REVEALED
Authors: SCHREINER PR KARNEY WL SCHLEYER PV BORDEN WT HAMILTON TP SCHAEFER HF
Citation: Pr. Schreiner et al., CARBENE REARRANGEMENTS UNSURPASSED - DETAILS OF THE C7H6 POTENTIAL-ENERGY SURFACE REVEALED, Journal of organic chemistry, 61(20), 1996, pp. 7030-7039
EFFECT OF OLEFIN PYRAMIDALIZATION ON THE PROTON AFFINITY OF TRICYCLO[3.3.3.0(3,7)]UNDEC-3(7)-ENE AS DETERMINED BY AB-INITIO CALCULATIONS AND KINETIC METHOD MEASUREMENTS
Authors: CLEVEN CD HOKE SH COOKS RG HROVAT DA SMITH JM LEE MS BORDEN WT
Citation: Cd. Cleven et al., EFFECT OF OLEFIN PYRAMIDALIZATION ON THE PROTON AFFINITY OF TRICYCLO[3.3.3.0(3,7)]UNDEC-3(7)-ENE AS DETERMINED BY AB-INITIO CALCULATIONS AND KINETIC METHOD MEASUREMENTS, Journal of the American Chemical Society, 118(44), 1996, pp. 10872-10878
ULTRAVIOLET PHOTOELECTRON-SPECTROSCOPY OF SOME C7H7-ISOMERS - QUADRICYCLANIDE, NORBORNADIENIDE, CYCLOHEPTATRIENIDE, AND 1,6-HEPTADIYNIDE
Authors: GUNION RF KARNEY W WENTHOLD PG BORDEN WT LINEBERGER WC
Citation: Rf. Gunion et al., ULTRAVIOLET PHOTOELECTRON-SPECTROSCOPY OF SOME C7H7-ISOMERS - QUADRICYCLANIDE, NORBORNADIENIDE, CYCLOHEPTATRIENIDE, AND 1,6-HEPTADIYNIDE, Journal of the American Chemical Society, 118(21), 1996, pp. 5074-5082
RING-OPENING OF BICYCLO[N.1.0]ALKANONES TO 2-CYCLOALKANONE-1,3-DIYLS - WHY DOES OXYALLYL DIRADICAL FORMATION REQUIRE LESS ENERGY FROM BICYCLO[3.1.0]HEXAN-6-ONES THAN FROM BICYCLO[1.1.0]BUTAN-2-ONES
Authors: HROVAT DA RAUK A SORENSEN TS POWELL HK BORDEN WT
Citation: Da. Hrovat et al., RING-OPENING OF BICYCLO[N.1.0]ALKANONES TO 2-CYCLOALKANONE-1,3-DIYLS - WHY DOES OXYALLYL DIRADICAL FORMATION REQUIRE LESS ENERGY FROM BICYCLO[3.1.0]HEXAN-6-ONES THAN FROM BICYCLO[1.1.0]BUTAN-2-ONES, Journal of the American Chemical Society, 118(17), 1996, pp. 4159-4166
Risultati: 1-25 | 26-50