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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 31, 1976 - Issue 4
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Original Articles

Molecular MCSCF calculations by direct minimization

II. Calculations on H2O using the single excitation MCSCF method

P.D. Dacre Department of Chemistry, The University, Sheffield, S3 7HF, U.K.
&
C.J. Watts Department of Chemistry, The University, Sheffield, S3 7HF, U.K.
Pages 1149-1158 | Received 26 Aug 1975, Published online: 23 Aug 2006

Citations (4)

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Read on this site (3)

P.W. Fowler & W.T. Raynes. (1982) The effects of vibration-rotation on the quadrupole moment, rotational g-factor and spin-rotation parameters of the water molecule. Molecular Physics 45:3, pages 667-680.
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P.W. Fowler, Gillian Riley & W.T. Raynes. (1981) Dipole moment, magnetizability and nuclear shielding surfaces for the water molecule. Molecular Physics 42:6, pages 1463-1481.
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P.D. Dacre & C.J. Watts. (1976) Molecular MCSCF calculations by direct minimization. Molecular Physics 32:5, pages 1437-1449.
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Articles from other publishers (1)

Gerard Durand & Xavier Chapuisat. (1985) An ab initio description of the excited states of the reaction O(3P, 1D) + H2 → OH(2Π, 2Σ+) + H. An attempt to describe several potential energy surfaces with constant accuracy. Chemical Physics 96:3, pages 381-407.
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