화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 Bimetallic Cobalt/Rhenium Systems: Preferred Position of Rhenium Through an Interdisciplinary Approach
Bakken V, Bergene E, Rytter E, Swang O
Catalysis Letters, 135(1-2), 21, 2010
2 Calculation of electric dipole hypershieldings at the nuclei in the Hellmann-Feynman approximation
Soncini A, Lazzeretti P, Bakken V, Helgaker T
Journal of Chemical Physics, 120(7), 3142, 2004
3 The efficient optimization of molecular geometries using redundant internal coordinates
Bakken V, Helgaker T
Journal of Chemical Physics, 117(20), 9160, 2002
4 A single transition state serves two mechanisms: An ab initio classical trajectory study of the electron transfer and substitution mechanisms in reactions of ketyl radical anions with alkyl halides
Bakken V, Danovich D, Shaik S, Schlegel HB
Journal of the American Chemical Society, 123(1), 130, 2001
5 Ab initio classical trajectories on the Born-Oppenheimer surface: Hessian-based integrators using fifth-order polynomial and rational function fits
Millam JM, Bakken V, Chen W, Hase WL, Schlegel HB
Journal of Chemical Physics, 111(9), 3800, 1999
6 Ab initio classical trajectories on the Born-Oppenheimer surface: Updating methods for Hessian-based integrators
Bakken V, Millam JM, Schlegel HB
Journal of Chemical Physics, 111(19), 8773, 1999
7 Semi-quantitative study of chelating agents suitable for removal of scale
Bakken V, Schoffel K
Revue de l Institut Francais du Petrole, 51(1), 151, 1996