화학공학소재연구정보센터
검색결과 : 37건
No. Article
1 The low-lying electronic states of MgO
Bauschlicher CW, Schwenke DW
Chemical Physics Letters, 683, 62, 2017
2 Functional Representation for the Born-Oppenheimer Diagonal Correction and Born-Huang Adiabatic Potential Energy Surfaces for Isotopomers of H-3
Mielke SL, Schwenke DW, Schatz GC, Garrett BC, Peterson KA
Journal of Physical Chemistry A, 113(16), 4479, 2009
3 An Approach to Include the Effects of Diffuse Functions in Potential Energy Surface Calculations
Huang XC, Schwenke DW, Lee TJ
Journal of Physical Chemistry A, 113(43), 11954, 2009
4 Quantum study of the N+N-2 exchange reaction: State-to-state reaction probabilities, initial state selected probabilities, Feshbach resonances, and product distributions
Wang DY, Huo WM, Dateo CE, Schwenke DW, Stallcop JR
Journal of Chemical Physics, 120(13), 6041, 2004
5 Reactive resonances in the N+N-2 exchange reaction
Wang DY, Huo WM, Dateo CE, Schwenke DW, Stallcop JR
Chemical Physics Letters, 379(1-2), 132, 2003
6 Quantal study of the exchange reaction for N+N-2 using an ab initio potential energy surface
Wang DY, Stallcop JR, Huo WM, Dateo CE, Schwenke DW, Partridge H
Journal of Chemical Physics, 118(5), 2186, 2003
7 First principles prediction of isotopic shifts in H2O
Schwenke DW
Journal of Chemical Physics, 118(15), 6898, 2003
8 New rovibrational kinetic energy operators using polyspherical coordinates for polyatomic molecules
Schwenke DW
Journal of Chemical Physics, 118(23), 10431, 2003
9 An accurate isotopically invariant potential function of the hydrogen sulphide molecule
Tyuterev VG, Tashkun SA, Schwenke DW
Chemical Physics Letters, 348(3-4), 223, 2001
10 Is the Lamb shift chemically significant?
Dyall KG, Bauschlicher CW, Schwenke DW, Pyykko P
Chemical Physics Letters, 348(5-6), 497, 2001