Accuracy of AHn equilibrium geometries by single determinant molecular orbital theory (Unknown)
National licence
- New search for: Hariharan, P.C.
- New search for: Pople, J.A.
- New search for: Hariharan, P.C.
- New search for: Pople, J.A.
In:
Molecular Physics
;
27
, 1
;
209-214
;
1974
- Article (Journal) / Electronic Resource
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Title:Accuracy of AHn equilibrium geometries by single determinant molecular orbital theory
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Contributors:Hariharan, P.C. ( author ) / Pople, J.A. ( author )
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Published in:Molecular Physics ; 27, 1 ; 209-214
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Publisher:
- New search for: Taylor & Francis Group
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Publication date:1974-01-01
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Size:6 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Source:
Table of contents – Volume 27, Issue 1
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Dielectric relaxation and dipole interactions in a high temperature latticeCole, Robert H. et al. | 1974
- 15
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Electron spin resonance of triplet molecules : the hyperfine structure of the double quantum transitionGrivet, J.-Ph. / Mispelter, J. et al. | 1974
- 33
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A projector formulation for the Van Vleck transformationJørgensen, Flemming / Pedersen, Thorvald et al. | 1974
- 49
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An effective field treatment of molecular rotation in solid hydrogenMartin, P.H. / Walmsley, S.H. et al. | 1974
- 65
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Photon absorption and scattering in Fano anti-resonancesNitzan, Abraham et al. | 1974
- 81
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Quantum theory of chemical valence conceptsRoby, Keith R. et al. | 1974
- 105
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The structure of the K pyrazine ion pair in dimethoxyethane deduced from second order shifts in the E.S.R. spectraGooijer, C. / MacLean, C. et al. | 1974
- 113
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Solvatation de cations paramagnétiques Co2+ et Ni2+ dans le dimethylsulfoxyde pur par RMN Pulsée du protonBoubel, Jean-Claude / Delpuech, Jean-Jacques et al. | 1974
- 129
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The long-range dipole moment of three identical atomsMartin, P.H. et al. | 1974
- 135
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The influence of rapid one-dimensional diffusion on the E.S.R. line shapeAntsiferova, L.I. / Lazarev, A.V. / Tsiganov, V.V. et al. | 1974
- 145
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Solution ENDOR mechanisms for α and β-protons in π-radicalsAtherton, N.M. / Day, B. et al. | 1974
- 159
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Long-range configuration interaction of ionic and covalent statesGrice, R. / Herschbach, D.R. et al. | 1974
- 177
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A Monte Carlo study of the two-dimensional Lennard-Jones systemTsien, F. / Valleau, J.P. et al. | 1974
- 185
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The decay function of a dielectric shellHill, N.E. et al. | 1974
- 191
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Atomic interactions in the heavy Noble gasesThakkar, Ajit J. / Smith, Vedene H.Jr. et al. | 1974
- 209
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Accuracy of AHn equilibrium geometries by single determinant molecular orbital theoryHariharan, P.C. / Pople, J.A. et al. | 1974
- 215
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Ab initio calculations of transition metal complexesHillier, I.H. / Guest, M.F. / Higginson, B.R. / Lloyd, D.R. et al. | 1974
- 225
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A treatment of the volume and fluctuation term in Poisson's equation in the Debye-Hückel theory of strong electrolyte solutionsBurley, D.M. / Hutson, V.C.L. / Outhwaite, C.W. et al. | 1974
- 237
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Antiferromagnetic spin structure of long molecules with conjugated bondsMisurkin, I.A. / Ovchinnikov, A.A. et al. | 1974
- 247
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Surface effects and local structure of a one-dimensional systemVaula, Dag / Morild, Eddie et al. | 1974
- 257
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Isotropic and nematic phase N.M.R. spectra of tellurophenD'Annibale, Antonio / Lunazzi, Lodovico / Fringuelli, Francesco / Taticchi, Aldo et al. | 1974
- 261
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Electron spin resonance of photolytically reduced pyrazineZeldes, Henry / Livingston, Ralph et al. | 1974
- 265
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Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds†Schweig, A. / Thiel, W. et al. | 1974
- 269
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Split-shell molecular orbital calculations on the heteronuclear alkali metal diatomicsSannigrahi, A.B. / Mohammad, S. Noor et al. | 1974
- 273
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E.P.R. evidence for the structuring effect of alcohol in waterZnamirovschi, V. / Cozar, O. / Nicula, A. et al. | 1974
- 279
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Corrigenda and addenda to vibrational spacings for H2 +, D2 + and H2Bishop, David M. / Wetmore, Ross W. et al. | 1974
- i
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Editorial| 1974