화학공학소재연구정보센터
검색결과 : 20건
No. Article
1 A CCSDT study of the effects of higher order correlation on spectroscopic constants. I. First row diatomic hydrides
Feller D, Sordo JA
Journal of Chemical Physics, 112(13), 5604, 2000
2 A journey from generalized valence bond theory to the full CI complete basis set limit
Petersson GA, Frisch MJ
Journal of Physical Chemistry A, 104(11), 2183, 2000
3 The molecular structure and ionization potential of Si-2: The role of the excited states in the photoionization of Si-2
Dixon DA, Feller D, Peterson KA, Gole JL
Journal of Physical Chemistry A, 104(11), 2326, 2000
4 An estimation of the isomerization energy of acetylene
Stanton JF, Gauss J
Journal of Chemical Physics, 110(3), 1831, 1999
5 Improved Estimates of the Total Correlation-Energy in the Ground-State of the Water Molecule
Luchow A, Anderson JB, Feller D
Journal of Chemical Physics, 106(18), 7706, 1997
6 Basis-Set Convergence of Correlated Calculations on Water
Helgaker T, Klopper W, Koch H, Noga J
Journal of Chemical Physics, 106(23), 9639, 1997
7 The Structure and Binding-Energy of K+-Ether Complexes - A Comparison of Mp2, Ri-Mp2, and Density-Functional Methods
Feller D, Apra E, Nichols JA, Bernholdt DE
Journal of Chemical Physics, 105(5), 1940, 1996
8 Electron-Spin-Resonance Rare-Gas Matrix Studies of (CO2-)-C-12, (CO2-)-C-13, and (CO2-)-O-17 - Comparison with Ab-Initio Calculations
Knight LB, Hill D, Berry K, Babb R, Feller D
Journal of Chemical Physics, 105(14), 5672, 1996
9 Cation-Ether Complexes in the Gas-Phase - Bond-Dissociation Energies and Equilibrium Structures of Li+(O(CH3)(2))(X), X=1-4
More MB, Glendening ED, Ray D, Feller D, Armentrout PB
Journal of Physical Chemistry, 100(5), 1605, 1996
10 Hydrogen-Bond Energy of the Water Dimer
Feyereisen MW, Feller D, Dixon DA
Journal of Physical Chemistry, 100(8), 2993, 1996