Extended Hückel method: Calculation of the ethylene force field

J. Paldus; P. Hrabě

doi:10.1007/bf00526657

Extended Hückel method: Calculation of the ethylene force field

Theoretica Chimica Acta ◽

10.1007/bf00526657 ◽

1968 ◽

Vol 11 (5) ◽

pp. 401-410 ◽

Cited By ~ 11

Author(s):

J. Paldus ◽

P. Hrabě

Keyword(s):

Force Field ◽

Method Calculation ◽

Extended Hückel ◽

Extended Hückel Method ◽

Hückel Method

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Extended Hückel Method Calculation of Polarization Energies: The Case of a Benzene Dimer

The Journal of Physical Chemistry A ◽

10.1021/jp410311v ◽

2013 ◽

Vol 117 (51) ◽

pp. 14276-14281 ◽

Cited By ~ 2

Author(s):

Raphael M. Tromer ◽

José A. Freire

Keyword(s):

Method Calculation ◽

Extended Hückel ◽

Extended Hückel Method ◽

Hückel Method ◽

Benzene Dimer

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THE EXTENDED HÜCKEL METHOD

Quantum Chemistry ◽

10.1016/b978-0-12-457550-9.50015-8 ◽

1978 ◽

pp. 283-308 ◽

Cited By ~ 1

Author(s):

JOHN P. LOWE

Keyword(s):

Extended Hückel ◽

Extended Hückel Method ◽

Hückel Method

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THE EXTENDED HÜCKEL METHOD

Quantum Chemistry ◽

10.1016/b978-0-08-051554-0.50016-3 ◽

1993 ◽

pp. 324-349 ◽

Cited By ~ 1

Author(s):

John P. Lowe

Keyword(s):

Extended Hückel ◽

Extended Hückel Method ◽

Hückel Method

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Investigation of Additional Elements to Improve the Heatproof of Mg Alloys By Extended Huckel Method

The Proceedings of Yamanashi District Conference ◽

10.1299/jsmeyamanashi.2002.277 ◽

2002 ◽

Vol 2002 (0) ◽

pp. 277-278

Author(s):

Manabu Sugiura ◽

Yusuke Tutiya ◽

Yoshinori Kanno

Keyword(s):

Mg Alloys ◽

Extended Hückel ◽

Extended Hückel Method ◽

Hückel Method

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X-ray-absorption and -emission spectra of aK2PdCl6crystal studied by the self-consistent-charge extended Hückel method

Physical Review B ◽

10.1103/physrevb.39.10288 ◽

1989 ◽

Vol 39 (14) ◽

pp. 10288-10295 ◽

Cited By ~ 8

Author(s):

Michihide Kitamura ◽

Chikara Sugiura ◽

Shinji Muramatsu

Keyword(s):

Emission Spectra ◽

The Self ◽

Absorption And Emission ◽

X Ray ◽

Absorption And Emission Spectra ◽

Extended Hückel ◽

Extended Hückel Method ◽

Hückel Method ◽

Self Consistent ◽

X Ray Absorption

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Evaluation by extended Hückel method on the hardness of the B–C–N materials

Science and Technology of Advanced Materials ◽

10.1016/j.stam.2005.07.004 ◽

2005 ◽

Vol 6 (8) ◽

pp. 910-914 ◽

Cited By ~ 4

Author(s):

Hideaki Takashima ◽

Yoshinori Kanno

Keyword(s):

Extended Hückel ◽

Extended Hückel Method ◽

Hückel Method

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Relationship between proton—proton NMR coupling constants and substituent electronegativities. IV—An extended karplus equation accounting for interactions between substituents and its application to coupling constant data calculated by the Extended Hückel method

Magnetic Resonance in Chemistry ◽

10.1002/mrc.1260270608 ◽

1989 ◽

Vol 27 (6) ◽

pp. 556-563 ◽

Cited By ~ 65

Author(s):

Lambertus A. Donders ◽

Franciscus A. A. M. De Leeuw ◽

Cornelis Altona

Keyword(s):

Proton Nmr ◽

Coupling Constants ◽

Coupling Constant ◽

Proton Proton ◽

Karplus Equation ◽

Extended Hückel ◽

Extended Hückel Method ◽

Hückel Method

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Studies on primary hydrated complexes of Li+, Na+ and K+ ions by the extended Hückel method

Chemical Physics Letters ◽

10.1016/0009-2614(73)80359-8 ◽

1973 ◽

Vol 18 (1) ◽

pp. 135-139 ◽

Cited By ~ 15

Author(s):

D.A. Zhogolev ◽

B.Kh. Bunyatyan ◽

Yu.A. Kruglyak

Keyword(s):

Extended Hückel ◽

Extended Hückel Method ◽

Hückel Method ◽

Hydrated Complexes

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The application of the extended Hückel method to the calculation of the rate ratios and activation energies. The enolization of some methyl ketones

Tetrahedron Letters ◽

10.1016/s0040-4039(00)75391-3 ◽

1968 ◽

Vol 9 (39) ◽

pp. i

Keyword(s):

Activation Energies ◽

Methyl Ketones ◽

Extended Hückel ◽

Extended Hückel Method ◽

Hückel Method ◽

Rate Ratios

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Molecular orbital studies of the series [MII(H2O)6]2+ (M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu) by the iterative extended Hückel method

Inorganica Chimica Acta ◽

10.1016/s0020-1693(00)88046-9 ◽

1984 ◽

Vol 90 (2) ◽

pp. 137-143 ◽

Cited By ~ 4

Author(s):

N.J. Fitzpatrick ◽

M.A. McGinn

Keyword(s):

Molecular Orbital ◽

Extended Hückel ◽

Extended Hückel Method ◽

Hückel Method

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