화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 The Calculation of Se-77 Chemical-Shifts Using Gauge Including Atomic Orbitals and Density-Functional Theory
Schreckenbach G, Ruizmorales Y, Ziegler T
Journal of Chemical Physics, 104(21), 8605, 1996
2 Coupled Hartree-Fock Calculations of Molecular Magnetic-Properties Annihilating the Transverse Paramagnetic Current-Density
Zanasi R
Journal of Chemical Physics, 105(4), 1460, 1996
3 2-Dipole Magnetic-Field Density-Functional Theory
Grayce CJ, Harris RA
Journal of Physical Chemistry, 99(9), 2724, 1995
4 Density-Functional Study of Magnetic Coupling Parameters - Reconciling Theory and Experiment for the Tif3 Complex
Belanzoni P, Baerends EJ, Vanasselt S, Langewen PB
Journal of Physical Chemistry, 99(35), 13094, 1995
5 The Hyperfine Structures of Small Radicals from Density-Functional Calculations
Eriksson LA, Malkina OL, Malkin VG, Salahub DR
Journal of Chemical Physics, 100(7), 5066, 1994