화학공학소재연구정보센터
검색결과 : 18건
No. Article
1 Conformations of allyl amine: Theory vs experiment
Galabov B, Kim S, Xie Y, Schaefer HF, Leininger ML, Durig JR
Journal of Physical Chemistry A, 112(10), 2120, 2008
2 The standard enthalpy of formation of CH2
Csaszar AG, Leininger ML, Szalay V
Journal of Chemical Physics, 118(23), 10631, 2003
3 Enthalpy of formation of (2)Pi(3/2) SH
Csaszar AG, Leininger ML, Burcat A
Journal of Physical Chemistry A, 107(12), 2061, 2003
4 Optimization of MCSCF excited states using directions of negative curvature
Hoffmann MR, Sherrill CD, Leininger ML, Schaefer HF
Chemical Physics Letters, 355(1-2), 183, 2002
5 Anchoring the water dimer potential energy surface with explicitly correlated computations and focal point analyses
Tschumper GS, Leininger ML, Hoffman BC, Valeev EF, Schaefer HF, Quack M
Journal of Chemical Physics, 116(2), 690, 2002
6 Accurate structures and binding energies for stacked uracil dimers
Leininger ML, Nielsen IMB, Colvin ME, Janssen CL
Journal of Physical Chemistry A, 106(15), 3850, 2002
7 Scaled higher-order correlation energies: In pursuit of the complete basis set full configuration interaction limit
Csaszar AG, Leininger ML
Journal of Chemical Physics, 114(13), 5491, 2001
8 Electron affinities of the DNA and RNA bases
Wesolowski SS, Leininger ML, Pentchev PN, Schaefer HF
Journal of the American Chemical Society, 123(17), 4023, 2001
9 The barrier to linearity of hydrogen sulphide
Tarczay G, Csaszar AG, Leininger ML, Klopper W
Chemical Physics Letters, 322(1-2), 119, 2000
10 A new diagnostic for open-shell coupled-cluster theory
Leininger ML, Nielsen IMB, Crawford TD, Janssen CL
Chemical Physics Letters, 328(4-6), 431, 2000