화학공학소재연구정보센터
검색결과 : 14건
No. Article
1 Excitation Spectra of Nucleobases with Multiconfigurational Density Functional Theory
Hubert M, Jensen HJA, Hedegardt ED
Journal of Physical Chemistry A, 120(1), 36, 2016
2 Phosphorescence parameters for platinum (II) organometallic chromophores: A study at the non-collinear four-component Kohn-Sham level of theory
Norman P, Jensen HJA
Chemical Physics Letters, 531, 229, 2012
3 Spin-orbit coupling in actinide cations
Bagus PS, Ilton ES, Martin RL, Jensen HJA, Knecht S
Chemical Physics Letters, 546, 58, 2012
4 Determination of the chemical potential and HOMO/LUMO orbitals in density purification methods
Rubensson EH, Jensen HJA
Chemical Physics Letters, 432(4-6), 591, 2006
5 Theoretical study of PbO and the PbO anion
Ilias M, Jensen HJA, Kello V, Roos BO, Urban M
Chemical Physics Letters, 408(4-6), 210, 2005
6 Quadratic response functions in the time-dependent four-component Hartree-Fock approximation
Norman P, Jensen HJA
Journal of Chemical Physics, 121(13), 6145, 2004
7 Linear response at the 4-component relativistic level: Application to the frequency-dependent dipole polarizabilities of the coinage metal dimers
Saue T, Jensen HJA
Journal of Chemical Physics, 118(2), 522, 2003
8 Relativistic effects on linear and nonlinear polarizabilities studied by effective-core potential, Douglas-Kroll, and Dirac-Hartree-Fock response theory
Norman P, Schimmelpfennig B, Ruud K, Jensen HJA, Agren H
Journal of Chemical Physics, 116(16), 6914, 2002
9 Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations
Norman P, Bishop DM, Jensen HJA, Oddershede J
Journal of Chemical Physics, 115(22), 10323, 2001
10 Relativistic four-component calculations of indirect nuclear spin-spin couplings in MH4 (M=C, Si, Ge, Sn, Pb) and Pb(CH3)(3)H
Enevoldsen T, Visscher L, Saue T, Jensen HJA, Oddershede J
Journal of Chemical Physics, 112(8), 3493, 2000