| 1 |
Lewis-acid properties of technetium(VII) dioxide trifluoride, TcO2F3 : Characterization by F-19, O-17, and Tc-99 NMR spectroscopy and Raman spectroscopy, density functional theory calculations of TcO2F3, M+TcO2F4- [M = Li, Cs, N(CH3)(4)], and TcO2F3 center dot CH3CN, and X-ray crystal structure of Li+TcO2F4-
Casteel WJ, Dixon DA, LeBlond N, Mercier HPA, Schrobilgen GJ
Inorganic Chemistry, 37(2), 340, 1998 |
| 2 |
Tl(2)Ch(2)(2-) (Ch = Se and/or Te) anions : X-ray crystal structures and Raman spectra of (2,2,2-crypt-K+)(2)Tl2Se22- and (2,2,2-crypt-K+)(2)Tl2Te22- and solution Se-77, Tl-203, and Tl-205 NMR spectroscopic and theoretical studies of Tl(2)Ch(2)(2-), In2Se22-, and In2Te22-
Borrmann H, Campbell J, Dixon DA, Mercier HPA, Pirani AM, Schrobilgen GJ
Inorganic Chemistry, 37(8), 1929, 1998 |
| 3 |
Ab-Initio and Semiempirical Studies on the Transition Structure of the Baeyer and Villiger Rearrangement - The Reaction of Acetone with Performic Acid
Cardenas R, Cetina R, Lagunezotero J, Reyes L
Journal of Physical Chemistry A, 101(2), 192, 1997 |
| 4 |
An Ab-Initio Study of the 3-Channel Reaction Between Methanol and Hydrogen-Atoms - Bac-Mp4 and Gaussian-2 Calculations
Lendvay G, Berces T, Marta F
Journal of Physical Chemistry A, 101(8), 1588, 1997 |
| 5 |
Density-Functional Study of the Electronic-Structures of (Co(NH3)(5)X)((3+n)+) Complexes - Insight into the Role of the 3D and 4S Orbitals in Metal-Ligand Interactions
Chan JC, Wilson PJ, Auyeung SC, Webb GA
Journal of Physical Chemistry A, 101(23), 4196, 1997 |
| 6 |
Novel Aspects of the (1,3)Sigmatropic Silyl Shift in Allylsilane
Yamabe T, Nakamura K, Shiota Y, Yoshizawa K, Kawauchi S, Ishikawa M
Journal of the American Chemical Society, 119(4), 807, 1997 |
| 7 |
Theoretical-Study of the Gas-Phase Decomposition of Glycolic, Lactic, and 2-Hydroxyisobutyric Acids
Domingo LR, Andres J, Moliner V, Safont VS
Journal of the American Chemical Society, 119(27), 6415, 1997 |
| 8 |
Intramolecular H Atom-Transfer Reactions in Alkyl Radicals and the Ring Strain-Energy in the Transition Structure
Viskolcz B, Lendvay G, Kortvelyesi T, Seres L
Journal of the American Chemical Society, 118(12), 3006, 1996 |
| 9 |
Role of the HNO3(--)Noh Isomerization in Reactions (I) NH((3)Sigma(-))+o(P-3) and (II) N(S-4)+oh((2)Pi) - Ab-Initio Calculations and Quantum-Statistical Rice-Ramsperger-Kassel Analysis of the Potential-Energy Surfaces
Sengupta D, Chandra AK
Journal of Chemical Physics, 101(5), 3906, 1994 |
| 10 |
Comparison of Several Semiempirical and Ab-Initio Methods for Transition-State Structure Characterization - Addition of CO2 to Ch3Nhconh2
Andres J, Moliner V, Krechl J, Silla E
Journal of Physical Chemistry, 98(14), 3664, 1994 |
