ExLibris header image
SFX Logo
Title: Ab Initio Study of the Lanthanide and Actinide Contraction
Source:

Journal of Physical Chemistry A [1089-5639] Küchle, W yr:1997


Collapse list of basic services Basic
Full text
Full text available via American Chemical Society Journals
GO
Document delivery
Request document via Library/Bibliothek GO
Users interested in this article also expressed an interest in the following:
1. Laerdahl, J. K. "A fully relativistic Dirac-Hartree-Fock and second-order Moller-Plesset study of the lanthanide and actinide contraction." The Journal of chemical physics 109.24 (1998): 10806-10817. Link to Full Text for this item Link to SFX for this item
2. CUNDARI, Walter R. "EFFECTIVE CORE POTENTIAL METHODS FOR THE LANTHANIDES." The Journal of chemical physics 98.7 (1993): 5555-5565. Link to Full Text for this item Link to SFX for this item
3. WANG, SG. "LANTHANIDE DIATOMICS AND LANTHANIDE CONTRACTIONS." The Journal of physical chemistry 99.30 (1995): 11687-11695. Link to Full Text for this item Link to SFX for this item
4. Hong, Gongyi Y. "Ab initio study of metal-ring bonding in the bis(eta(6)-benzene)lanthanide and -actinide complexes M(C6H6)(2) (M = La, Ce, Nd, Gd, Tb, Lu, Th, U)." Journal of the American Chemical Society 121.7 (1999): 1502-1512. Link to Full Text for this item Link to SFX for this item
5. Burrows, A. "Spectroscopic constants, abundances, and opacities of the TiH molecule." The astrophysical journal 624.2 (2005): 988-1002. Link to Full Text for this item Link to SFX for this item
6. HAY, P. "ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS - POTENTIALS FOR THE TRANSITION-METAL ATOMS SC TO HG." The Journal of chemical physics 82.1 (1985): 270-283. Link to Full Text for this item Link to SFX for this item
7. HAY, P. "ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS - POTENTIALS FOR K TO AU INCLUDING THE OUTERMOST CORE ORBITALS." The Journal of chemical physics 82.1 (1985): 299-310. Link to Full Text for this item Link to SFX for this item
8. Macchi, P. "Experimental and theoretical electron density study of the peroxo function in oxoperoxo(pyridine-2,6-dicarboxylato)(hexamethylphosphoramide)molybdenum (VI): Implications for olefin epoxidation by peroxo transition metal complexes." The journal of physical chemistry. A 105.40 (2001): 9231-9242. Link to Full Text for this item Link to SFX for this item
9. Hong, G. "Scalar‐relativistic density functional and ab initio pseudopotential study of zero‐valent d and f metal bis‐η6‐benzene sandwich complexes M(C6H6)2 (M = Sc, Ti, Y, Zr, La, Lu, Hf, Th, U)." International journal of quantum chemistry 80.2 (2000): 201-209. Link to Full Text for this item Link to SFX for this item
10. Kedziorski, A. "Net-value of the relativistic crystal field effect." Journal of alloys and compounds 380.1-2 (2004): 151-155. Link to SFX for this item
11. Gorlov, M. "Mononuclear eta(6)-Arene Complexes of Lanthanides: One-Step Syntheses, Crystal Structures, and Arene Exchange." European journal of inorganic chemistry 33 (2008): 5191-5195. Link to Full Text for this item Link to SFX for this item
12. Halfen, D. "Precise rest frequencies for AlH and AlD (X-1 Sigma(+)): A reassessment of the aluminum hyperfine structure." Astrophysical journal 607.1 (2004). Link to Full Text for this item Link to SFX for this item
13. Dolg, M. "Accurate Relativistic Small-Core Pseudopotentials for Actinides. Energy Adjustment for Uranium and First Applications to Uranium Hydride." The journal of physical chemistry. A 113.45 (2009): 12573-12581. Link to Full Text for this item Link to SFX for this item
14. OHANESSIAN, G. "VALENCE-BOND CONCEPTS IN TRANSITION-METALS - METAL HYDRIDE DIATOMIC CATIONS." Accounts of chemical research 23.11 (1990): 386-392. Link to Full Text for this item Link to SFX for this item
15. LEE, Y. "ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .1. FORMALISM AND APPLICATIONS TO XE AND AU ATOMS." The Journal of chemical physics 67.12 (1977): 5861-5876. Link to Full Text for this item Link to SFX for this item
16. Ram, R. "The electronic structure of ZrCl." The Journal of chemical physics 114.9 (2001): 3977-3987. Link to Full Text for this item Link to SFX for this item
17. Ram, R. "Infrared emission spectroscopy of a new 2∑-2∑ system of TiCl." Journal of Molecular Spectroscopy 227.1 (2004): 43-49. Link to SFX for this item
18. Niemeyer, M. "sigma-donor versus eta(6)-pi-arene interactions in monomeric europium(II) and ytterbium(II) thiolates - An experimental and computational study." European journal of inorganic chemistry (2001): 1969-1981. Link to Full Text for this item Link to SFX for this item
19. Boettger, JC. "Scalar-Relativistic LCGTO DFT calculations for atoms using the Douglas-Kroll transformation." International journal of quantum chemistry 65.5 (1997): 565-574. Link to Full Text for this item Link to SFX for this item
20. STEVENS, Walter J. "RELATIVISTIC COMPACT EFFECTIVE POTENTIALS AND EFFICIENT, SHARED-EXPONENT BASIS-SETS FOR THE 3RD-ROW, 4TH-ROW, AND 5TH-ROW ATOMS." Canadian journal of chemistry 70.2 (1992): 612-630. Link to SFX for this item
View More...
View Less...
Select All Clear All

Expand list of advanced services Advanced