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Blomquist, Jan, Kjaell, Per (1994) Choice of Hamiltonian Matrix Elements for SCC-IEH (Sef-Consistent Charge-Iterative Extended Hueckel) Calculations on Transition-Metal Complexes. The Journal of Physical Chemistry, 98 (40). 10098-10101 doi:10.1021/j100091a026

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Reference TypeJournal (article/letter/editorial)
TitleChoice of Hamiltonian Matrix Elements for SCC-IEH (Sef-Consistent Charge-Iterative Extended Hueckel) Calculations on Transition-Metal Complexes
JournalThe Journal of Physical Chemistry
AuthorsBlomquist, JanAuthor
Kjaell, PerAuthor
Year1994 (October)Volume98
Issue40
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/j100091a026Search in ResearchGate
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Mindat Ref. ID8032973Long-form Identifiermindat:1:5:8032973:4
GUID0
Full ReferenceBlomquist, Jan, Kjaell, Per (1994) Choice of Hamiltonian Matrix Elements for SCC-IEH (Sef-Consistent Charge-Iterative Extended Hueckel) Calculations on Transition-Metal Complexes. The Journal of Physical Chemistry, 98 (40). 10098-10101 doi:10.1021/j100091a026
Plain TextBlomquist, Jan, Kjaell, Per (1994) Choice of Hamiltonian Matrix Elements for SCC-IEH (Sef-Consistent Charge-Iterative Extended Hueckel) Calculations on Transition-Metal Complexes. The Journal of Physical Chemistry, 98 (40). 10098-10101 doi:10.1021/j100091a026
In(1994, October) The Journal of Physical Chemistry Vol. 98 (40) American Chemical Society (ACS)

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Treboux, Gabin (1994) Combining Molecular Mechanics with Quantum Treatments for Large Conjugated Hydrocarbons. 1. A Geometry-Dependent Hueckel Hamiltonian. The Journal of Physical Chemistry, 98 (40). 10054-10062 doi:10.1021/j100091a019
Evans, D. G. (1986) Extended Hueckel calculations and the role of d orbitals in transition-metal-cluster bonding. Inorganic Chemistry, 25 (25) 4602-4604 doi:10.1021/ic00245a030
Woolley, R. G. (1988) Reply to "Extended Hueckel calculations and the role of d orbitals in transition-metal-cluster bonding". Inorganic Chemistry, 27 (2) 430-432 doi:10.1021/ic00275a039
Euler, William B. (1987) Extended Hueckel calculations on defect states in the .pi. system of polyazine. The Journal of Physical Chemistry, 91 (22). 5795-5800 doi:10.1021/j100306a055
Meyer, B., Spitzer, K. (1972) Extended Hueckel calculations on the color of sulfur chains and rings. The Journal of Physical Chemistry, 76 (16). 2274-2279 doi:10.1021/j100660a017
Amos, A. T., Brook, P. A., Moir, S. A. (1988) Extended Hueckel calculations on copper clusters. The Journal of Physical Chemistry, 92 (3). 733-740 doi:10.1021/j100314a030
Andrews, Lester, Mielke, Zofia, Taylor, Peter R., Martin, Jan M. L. (1994) Matrix Infrared Spectrum and ab Initio Calculations on the PNP Radical. The Journal of Physical Chemistry, 98 (42). 10706-10709 doi:10.1021/j100093a007
TVAROSKA, I., KLIMO, V., VALKO, L. (1974) ChemInform Abstract: ON THERMAL DEHYDROCHLORINATION OF MODEL COMPOUNDS FOR POLY(VINYL CHLORIDE) PART 2, EXTENDED HUECKEL AND ITERATIVE EXTENDES HUECKEL CALCULATIONS ON THE BETA-CIS-DEHYDROCHLORINATION OF ETHYL CHLORIDE. Chemischer Informationsdienst, 5 (51) doi:10.1002/chin.197451145
Pyykkoe, P., Lohr, Lawrence L. (1981) Relativistically parameterized extended Hueckel calculations. 3. Structure and bonding for some compounds of uranium and other heavy elements. Inorganic Chemistry, 20 (7) 1950-1959 doi:10.1021/ic50221a002
Shao, Yidong, Paul, Jan A. K. (1994) Oxygen Adsorption on Potassium. The Journal of Physical Chemistry, 98 (40). 10229-10236 doi:10.1021/j100091a044
Kreissl, Fritz R., Sieber, Werner J., Hofmann, Peter., Riede, Jurgen., Wolfgruber, Mathias. (1985) Transition-metal ketenes. 25. Bis(trimethylphosphine)-substituted .eta.2-alkyne complexes of tungsten. Synthesis, structure, and extended Hueckel MO calculations. Organometallics, 4. 788-792 doi:10.1021/om00123a029
 
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