화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Molecular knife throwing: aiming for dissociation at specific surface sites through state-selection (vol 328, pg 317, 2000)
McCormack DA, Kroes GJ, Olsen RA, Groeneveld JA, van Stralen JNP, Baerends EJ, Mowrey RC
Chemical Physics Letters, 346(3-4), 347, 2001
2 Rovibrationally inelastic scattering of (v=1, j=1) H-2 from Cu(100) experiment and theory
Watts E, Sitz GO, McCormack DA, Kroes GJ, Olsen RA, Groeneveld JA, Van Stralen JNP, Baerends EJ, Mowrey RC
Journal of Chemical Physics, 114(1), 495, 2001
3 Molecular knife throwing: aiming for dissociation at specific surface sites through state-selection
McCormack DA, Kroes GJ, Olsen RA, Groeneveld JA, van Stralen JNP, Baerends EJ, Mowrey RC
Chemical Physics Letters, 328(4-6), 317, 2000
4 Excitation energies for transition metal compounds from time-dependent density functional theory. Applications to MnO4-, Ni(CO)(4), and Mn-2(CO)(10)
van Gisbergen SJA, Groeneveld JA, Rosa A, Snijders JG, Baerends EJ
Journal of Physical Chemistry A, 103(34), 6835, 1999
5 Electronic spectra of M(CO)(6) (M = Cr, Mo, W) revisited by a relativistic TDDFT approach
Rosa A, Baerends EJ, van Gisbergen SJA, van Lenthe E, Groeneveld JA, Snijders JG
Journal of the American Chemical Society, 121(44), 10356, 1999