화학공학소재연구정보센터
검색결과 : 14건
No. Article
1 Electron transfer in neptunyl(VI)-neptunyl(V) complexes in solution
Macak P, Fromager E, Privalov T, Schimmelpfennig B, Grenthe I, Wahlgren U
Journal of Physical Chemistry A, 109(22), 4950, 2005
2 Spin-orbit effects in electron transfer in neptunyl(VI)-neptunyl(V) complexes in solution
Fromager E, Vallet V, Schimmelpfennig B, Macak P, Privalov T, Wahlgren U
Journal of Physical Chemistry A, 109(22), 4957, 2005
3 Linear-scaling formation of Kohn-Sham Hamiltonian: Application to the calculation of excitation energies and polarizabilities of large molecular systems
Watson MA, Salek P, Macak P, Helgaker T
Journal of Chemical Physics, 121(7), 2915, 2004
4 Electron transfer in uranyl(VI)-uranyl(V) complexes in solution
Privalov T, Macak P, Schimmelpfennig B, Fromager E, Grenthe I, Wahlgren U
Journal of the American Chemical Society, 126(31), 9801, 2004
5 General theory for pulse propagation in two-photon active media
Baev A, Gel'mukhanov F, Macak P, Luo Y, Agren H
Journal of Chemical Physics, 117(13), 6214, 2002
6 Role of the cavity field in nonlinear optical response in the condensed phase
Munn RW, Luo Y, Macak P, Agren H
Journal of Chemical Physics, 114(7), 3105, 2001
7 Effects of pi centers and symmetry on two-photon absorption cross sections of organic chromophores
Wang CK, Macak P, Luo Y, Agren H
Journal of Chemical Physics, 114(22), 9813, 2001
8 Simulations of vibronic profiles in two-photon absorption
Macak P, Luo Y, Agren H
Chemical Physics Letters, 330(3-4), 447, 2000
9 Modeling of dynamic molecular solvent properties using local and cavity field approaches
Macak P, Norman P, Luo Y, Agren H
Journal of Chemical Physics, 112(4), 1868, 2000
10 Electronic and vibronic contributions to two-photon absorption of molecules with multi-branched structures
Macak P, Luo Y, Norman P, Agren H
Journal of Chemical Physics, 113(17), 7055, 2000