화학공학소재연구정보센터
검색결과 : 35건
No. Article
1 A first principles study of the acetylene-water interaction
Tzeli D, Mavridis A, Xantheas SS
Journal of Chemical Physics, 112(14), 6178, 2000
2 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
3 Structure and stability of the AlX and AlX- species
Gutsev GL, Jena P, Bartlett RJ
Journal of Chemical Physics, 110(6), 2928, 1999
4 Ab initio study of He2H+ and Ne2H+: Accurate structure and energetics
Kim ST, Lee JS
Journal of Chemical Physics, 110(9), 4413, 1999
5 C(sp(2))-C(sp(3)) rotational barriers in simple amides: H2N-C(=O)-R(R = methyl, ethyl, i-propyl, tert-butyl)
Sandrone G, Dixon DA, Hay BP
Journal of Physical Chemistry A, 103(7), 893, 1999
6 Properties of electron density and other one-electron observables derived from generalized Hiller-Sucher-Feinberg identities
Cioslowski J, Lopez-Boada R
Journal of Chemical Physics, 109(4), 1230, 1998
7 Benchmark calculations with correlated molecular wave functions. IX. The weakly bound complexes Ar-H-2 and Ar-HCl
Woon DE, Peterson KA, Dunning TH
Journal of Chemical Physics, 109(6), 2233, 1998
8 Heats of formation of simple boron compounds
Feller D, Dixon DA, Peterson KA
Journal of Physical Chemistry A, 102(35), 7053, 1998
9 Heats of formation of CF2, FCO, and CF2O
Dixon DA, Feller D
Journal of Physical Chemistry A, 102(42), 8209, 1998
10 The Dissociation-Energies of NF(X(3)Sigma(-)) and Ncl(X(3)Sigma(-))
Xantheas SS, Dunning TH, Mavridis A
Journal of Chemical Physics, 106(8), 3280, 1997