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J.H Van Lenthe

Veröffentlichungen von J.H Van Lenthe zu van Lenthe, Joop H.. ->
weitere Veröffentlichungen von J.H Van Lenthe:
On the evaluation of non-orthogonal matrix elements (1991)
An ab initio two-component relativistic method including spin–orbit coupling using the regular approximation (2000)
Ab initio calculations on the three lowest states of HO^+"2 (1978)
Quantum chemical calculations on the electrical double layer at the metal/vacuum interface - Part II. Properties of single crystal surfaces (1986)
Quantum chemical calculations on the electrical double layer at the metal/vacuum interface - Part I. Hartree-Fock cluster descriptions (1986)
The metal side of the electrical double layer at the metal/electrolyte interface - An ab initio quantum chemical cluster study (1984)
Hartree-Fock and MCSCF calculations on the cis-trans isomerism of formic acid (1982)
On the contribution of the metal to the electrical double-layer capacity - Ab initio model calculations on lithium clusters (1989)
Convergence to the configuration-set limit in multireference configuration-interaction calculations on the He dimer (1990)
The basis set superposition error in correlated electronic structure calculations (1986)
Size consistent multireference single and double excitation configuration interaction calculations. The multireference coupled electron-pair approximation (1991)
Edwin - a program for calculating inelastic molecular collision cross sections using the exponential distorted wave and related approximate methods (1980)
The structure of 2-(diphenylphosphino)phenyllithium: the significance of PLi bonding (1991)
The valence-bond scf (VB SCF) method. - Synopsis of theory and test calculation of oh potential energy curve (1980)
An analysis of the partial wave expansion of the dispersion energy for Ne"2 (1984)
Veröffentlichungen zu van Lenthe, Joop H..
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1
Blenkers, Joop. Electron-deficient pentamethylcyclopentadienyl-1,3-butadiene complexes of titanium, zirconium, and hafnium
In: Organometallics. - Washington, DC : ACS Publ., ISSN 1520-6041, Vol. 6, No. 3 (1987), p. 459-469
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1987
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2
van Duijneveldt, Frans B.. State of the Art in Counterpoise Theory
In: Chemical reviews. - Washington, DC : ACS Publ., ISSN 1520-6890, Vol. 94, No. 7 (1994), p. 1873-1885
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1994
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3
Beijersbergen, Jaap H. M.. Hydrogen (H2.bul.+) loss from methane and ethane under electron impact: an experimental study of transition-state geometries
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 43 (1993), p. 11180-11185
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1993
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4
Kemper, H. C.. The Amsterdam Growth and Health Longitudinal Study The Past (1976-1996) and Future (1997-?)
In: International journal of sports medicine. - Stuttgart [u.a.] : Thieme Vol. 18, No. S 3 (7. 1997), p. 140-150
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1997
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5
Kemper, H. C.. The Amsterdam Growth and Health Longitudinal Study The Past (1976-1996) and Future (1997-?)
In: International journal of sports medicine. - Stuttgart [u.a.] : Thieme Vol. 18, No. S 3 (7. 1997), p. 140-150
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1997
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6
Beijersbergen, Jaap H. M.. Neutralization as a probe for ionic structures and the dissociative dynamics of electronically excited states: the nitromethane case
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 23 (1992), p. 9288-9293
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1992
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7
Beijersbergen, Jaap H. M.. Mode selectivity observed in the dissociations of excited normal alkanes along carbon-carbon bonds
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 95, No. 23 (1991), p. 9059-9066
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1991
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8
van Mourik, Tanja., van Lenthe, Joop H.. Benchmark full configuration interaction calculations on the helium dimer
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 102, No. 19 (1995), p. 7479-7483
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1995
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9
Dijkstra, Fokke., van Lenthe, Joop H.. Gradients in valence bond theory
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 113, No. 6 (2000), p. 2100-2108
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2000
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10
Verbeek, Jacob., Van Lenthe, Joop H.. The generalized Slater-Condon rules
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 40 (2. 1991), p. 201-210
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1991
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11
Byrman, Carsten P.., van Lenthe, Joop H.. A valence bond study of the oxygen molecule
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 58 (4. 1996), p. 351-360
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1996
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12
Dijkstra, Fokke., Van Lenthe, Joop H.. On the rapid evaluation of cofactors in the calculation of nonorthogonal matrix elements
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 67 (2. 1998), p. 77-83
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1998
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13
Klopper, Wim., van Lenthe, Joop H.., ... An improved ab initio relativistic zeroth-order regular approximation correct to order 1/c2
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 113, No. 22 (2000), p. 9957-9965
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2000
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14
Groenenboom, Gerrit C.., van Lenthe, Joop H.., ... Semiclassical calculation of the vibrational structure of the B˜ 1Bu Rydberg state of trans-di-imide from ab initio configuration interaction potential energy surfaces
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 91, No. 5 (1989), p. 3027-3035
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1989
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15
van Mourik, Tanja., Jan Vos, Robert., ... Removal of dependencies from nearly complete basis sets. Calculations on the helium dimer
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 63 (4. 1997), p. 805-815
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1997
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16
Harder, Sjoerd. Nucleophilic Ring Opening of Epoxides by Organolithium Compounds: Ab Initio Mechanisms
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 116, No. 6 (1994), p. 2508-2514
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1994
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17
Hiberty, Philippe C.., Humbel, Stéphane., ... Compact valence bond functions with breathing orbitals: Application to the bond dissociation energies of F2 and FH
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 101, No. 7 (1994), p. 5969-5976
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1994
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18
Harder, Sjoerd. Crystal structure of trimeric (2,6-di-tert-butoxyphenyl)lithium
In: Organometallics. - Washington, DC : ACS Publ., ISSN 1520-6041, Vol. 10, No. 5 (1991), p. 1623-1627
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1991
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19
Harder, Sjoerd. Isolation and crystal structure of a presumed intermediate in the reaction of an organolithium compound with an epoxide
In: Organometallics. - Washington, DC : ACS Publ., ISSN 1520-6041, Vol. 9, No. 2 (1990), p. 511-516
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1990
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20
Ruttink, Paul J. A., Lenthe, Joop H. The optimization of MCSCF functions by application of the generalized brillouin theorem: The LiH2 potential energy surface
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 44 (2. 1977), p. 97-107
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1977