Zobrazeno 1 - 10 of 60 pro vyhledávání: '"Philip, Hoggan"'
2
Efficient evaluation of Coulomb integrals using Poisson's equation for atom pairs in molecules
Autor: Philip, Hoggan
Publikováno v: International Journal of Quantum Chemistry
International Journal of Quantum Chemistry, 2006, 106, pp.2881-2888
International Journal of Quantum Chemistry, Wiley, 2006, 106, pp.2881-2888
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::cc87f2106769a9bff79f9d5751b7bbe0
https://hal.science/hal-00095406
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3
Closed formulae for (1s|1s), Slater two-center integrals, using the three-center nuclear attraction integral program in spherical coordinates
Autor: Philip, Hoggan
Publikováno v: International Journal of Quantum Chemistry
International Journal of Quantum Chemistry, Wiley, 2004, 100, pp.199-205
International Journal of Quantum Chemistry, 2004, 100, pp.199-205
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::b83de3804f8eb2c7090f70a01a0611b2
https://hal.archives-ouvertes.fr/hal-00095372
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4
Fast and accurate evaluation of three-center, two-electron Coulomb, hybrid, and three-center nuclear attraction integrals over Slater-type orbitals using the S≅D transformation
Autor: Philip, Hoggan
Publikováno v: International Journal of Quantum Chemistry
International Journal of Quantum Chemistry, Wiley, 2004, 99, pp.221-235
International Journal of Quantum Chemistry, 2004, 99, pp.221-235
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::a83e9ffa309853631326435918f0f776
https://hal.archives-ouvertes.fr/hal-00095389
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5
In memory of Herbert W. Jones (1927-2002
Autor: Philip, Hoggan
Publikováno v: International Journal of Quantum Chemistry
International Journal of Quantum Chemistry, 2004, 100, pp.67-68
International Journal of Quantum Chemistry, Wiley, 2004, 100, pp.67-68
Editor of volume 100 with C. Weatherford.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::51d07d7dd8862ea15289d96f54f14f20
https://hal.science/hal-00095377
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6
Note on hydrogenic atomic orbitals to evaluate sensitive properties of molecules: An example of NMR chemical shifts
Autor: Philip, Hoggan
Publikováno v: Journal of Theoretical and Computational Chemistry
Journal of Theoretical and Computational Chemistry, World Scientific Publishing, 2004, 3, pp.163-168
Journal of Theoretical and Computational Chemistry, 2004, 3, pp.163-168
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::a7d70d879c54c8a6a134fa41e36f6c52
https://hal.archives-ouvertes.fr/hal-00095386
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7
Useful integrals for Ab-Initio molecular quantum similarity measurements using Slater type atomic orbitals
Autor: Philip, Hoggan
Publikováno v: Journal of Theoretical and Computational Chemistry
Journal of Theoretical and Computational Chemistry, World Scientific Publishing, 2003, 2, pp.147-161
Journal of Theoretical and Computational Chemistry, 2003, 2, pp.147-161
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::4ccd3b74ee1e4ebac5ac558344e37eb5
https://hal.archives-ouvertes.fr/hal-00095394
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8
Solution of Poisson's equation:application to molecular Coulomb integrals
Autor: Philip, Hoggan
Publikováno v: Molecular Physics
Molecular Physics, 2006, 104, pp.1385-1389
Molecular Physics, Taylor & Francis, 2006, 104, pp.1385-1389
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::d1c109dfe255749deff24cac956dab86
https://hal.science/hal-00095356
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9
Solution of Poisson's equation using Spectral forms over Coulomb Sturmians
Autor: Philip, Hoggan
Publikováno v: Molecular Physics
Molecular Physics, 2005, 103, pp.2169-2172
Molecular Physics, Taylor & Francis, 2005, 103, pp.2169-2172
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::af7e869b195bf9a0a78c2fa8e2e3be9f
https://hal.science/hal-00095363
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