화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Modeling Energy Landscapes of Proton Motion in Nonaqueous, Tethered Proton Wires
Viswanathan U, Basak D, Venkataraman D, Fermann JT, Auerbach SM
Journal of Physical Chemistry A, 115(21), 5423, 2011
2 Are gas-phase reactions of five-coordinate divalent metal ion complexes affected by coordination geometry?
Combariza MY, Fermann JT, Vachet RW
Inorganic Chemistry, 43(8), 2745, 2004
3 Modeling proton mobility in acidic zeolite clusters. 3. A sudden approximation via semiclassical rate theory
Fermann JT, Auerbach SM
Journal of Physical Chemistry A, 105(12), 2879, 2001
4 Modeling proton mobility in acidic zeolite clusters. I. Convergence of transition state parameters from quantum chemistry
Fermann JT, Blanco C, Auerbach S
Journal of Chemical Physics, 112(15), 6779, 2000
5 Modeling proton mobility in acidic zeolite clusters: II. Room temperature tunneling effects from semiclassical rate theory
Fermann JT, Auerbach S
Journal of Chemical Physics, 112(15), 6787, 2000
6 The Hydroperoxyl Radical Dimer - Triplet Ring or Singlet String
Fermann JT, Hoffman BC, Tschumper GS, Schaefer HF
Journal of Chemical Physics, 106(12), 5102, 1997
7 The Torsional Conformations of Butane - Definitive Energetics from Ab-Initio Methods
Allinger NL, Fermann JT, Allen WD, Schaefer HF
Journal of Chemical Physics, 106(12), 5143, 1997
8 The Weakly-Bound Dinitrogen Tetroxide Molecule - High-Level Single Reference Wave-Functions Are Good Enough
Wesolowski SS, Fermann JT, Crawford TD, Schaefer HF
Journal of Chemical Physics, 106(17), 7178, 1997
9 Aluminum Monocarbonyl and Aluminum Isocarbonyl
Wesolowski SS, Crawford TD, Fermann JT, Schaefer HF
Journal of Chemical Physics, 104(10), 3672, 1996
10 Structures, Thermochemistry, and Electron-Affinities of the Pfn and Pfn- Series, N=1-6
Tschumper GS, Fermann JT, Schaefer HF
Journal of Chemical Physics, 104(10), 3676, 1996