검색결과 : 5건
No. | Article |
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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 |