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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

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Reference TypeJournal (article/letter/editorial)
TitleCombining Molecular Mechanics with Quantum Treatments for Large Conjugated Hydrocarbons. 1. A Geometry-Dependent Hueckel Hamiltonian
JournalThe Journal of Physical Chemistry
AuthorsTreboux, GabinAuthor
Year1994 (October)Volume98
Issue40
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/j100091a019Search in ResearchGate
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Mindat Ref. ID8032958Long-form Identifiermindat:1:5:8032958:5
GUID0
Full ReferenceTreboux, 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
Plain TextTreboux, 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
In(1994, October) The Journal of Physical Chemistry Vol. 98 (40) American Chemical Society (ACS)

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Treboux, Gabin, Maynau, Daniel, Malrieu, Jean Paul (1995) Combining Molecular Mechanics with Quantum Treatments for Large Conjugated Hydrocarbons. 2. A Geometry-Dependent Heisenberg Hamiltonian. The Journal of Physical Chemistry, 99 (17). 6417-6423 doi:10.1021/j100017a021
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
Treboux, Gabin (2000) Molecular Wire Electronic State Crossing Driven by Applied Voltage. The Journal of Physical Chemistry B, 104 (42). 9823-9827 doi:10.1021/jp0015980
Treboux, Gabin, Kanzaki, Noriko, Onuma, Kazuo, Ito, Atsuo (1999) Energy-Preeminent Isomer of the Ca3(PO4)2Cluster. The Journal of Physical Chemistry A, 103 (40). 8118-8120 doi:10.1021/jp991948m
Treboux, Gabin (1999) Symmetry Effects on the Conductance of Nanotube Junctions. The Journal of Physical Chemistry B, 103 (47). 10378-10381 doi:10.1021/jp991377y
Treboux, Gabin, Lapstun, Paul, Silverbrook, Kia (1998) AsymmetricI/VCharacteristics in Nonalternant Carbon Networks. The Journal of Physical Chemistry B, 102 (45). 8978-8980 doi:10.1021/jp9826468
Treboux, Gabin, Lapstun, Paul, Silverbrook, Kia (1999) An Intrinsic Carbon Nanotube Heterojunction Diode. The Journal of Physical Chemistry B, 103 (11). 1871-1875 doi:10.1021/jp983639m
Treboux, Gabin, Layrolle, Pierre, Kanzaki, Noriko, Onuma, Kazuo, Ito, Atsuo (2000) Existence of Posner's Cluster in Vacuum. The Journal of Physical Chemistry A, 104 (21). 5111-5114 doi:10.1021/jp994399t
Schoenert, Hansjuergen (1994) Debye-Hueckel theory for hydrated ions. 7. Thermodynamic model for incompletely dissociated 1:1 electrolytes. The Journal of Physical Chemistry, 98 (2). 654-661 doi:10.1021/j100053a046
Treboux, Gabin, Lapstun, Paul, Wu, Zhanghua, Silverbrook, Kia (1999) Interference-Modulated Conductance in a Three-Terminal Nanotube System. The Journal of Physical Chemistry B, 103 (41). 8671-8674 doi:10.1021/jp9912105
Finkel, Robert W. (2001) Kinetic Equations in Hamiltonian Treatments. The Journal of Physical Chemistry A, 105 (40). 9219-9221 doi:10.1021/jp011250k
 
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