New program for molecular calculations with Slater-type orbitals.
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- International Journal of Quantum Chemistry, 2001, v. 81, n. 2, p. 148, doi. 10.1002/1097-461X(2001)81:2<148::AID-QUA6>3.0.CO;2-0
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Works matching IS 00207608 AND DT 2001 AND VI 81 AND IP 2
Results: 9
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On the calculation of arbitrary multielectron molecular integrals over Slater-type orbitals using recurrence relations for overlap integrals. II. Two-center expansion method.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 2, p. 117, doi. 10.1002/1097-461X(2001)81:2<117::AID-QUA1>3.0.CO;2-L
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3
Ladder operators and boundary conditions.
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- International Journal of Quantum Chemistry, 2001, v. 81, n. 2, p. 141, doi. 10.1002/1097-461X(2001)81:2<141::AID-QUA5>3.0.CO;2-O
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4
Evaluation of expansion coefficients for translation of Slater-type orbitals using complete orthonormal sets of exponential-type functions.
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- International Journal of Quantum Chemistry, 2001, v. 81, n. 2, p. 126, doi. 10.1002/1097-461X(2001)81:2<126::AID-QUA2>3.0.CO;2-K
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5
Lie algebraic approach to Fermi resonance levels of CS<sub>2</sub> and CO<sub>2</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 2, p. 154, doi. 10.1002/1097-461X(2001)81:2<154::AID-QUA7>3.0.CO;2-8
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6
Possible use of genealogical spin-adapted functions in the table-CI method.
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- International Journal of Quantum Chemistry, 2001, v. 81, n. 2, p. 130, doi. 10.1002/1097-461X(2001)81:2<130::AID-QUA3>3.0.CO;2-Y
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7
Theoretical study of the mechanism of peptide ring formation in green fluorescent protein.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 2, p. 169, doi. 10.1002/1097-461X(2001)81:2<169::AID-QUA9>3.0.CO;2-N
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8
Closed-form formulas for Kirchhoff index.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 2, p. 135, doi. 10.1002/1097-461X(2001)81:2<135::AID-QUA4>3.0.CO;2-G
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9
Density functional theory study of the structures and stabilities of CuO \documentclass{article}\pagestyle{empty}\begin{document}$_{3}^{-}$\end{document}.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 2, p. 162, doi. 10.1002/1097-461X(2001)81:2<162::AID-QUA8>3.0.CO;2-A
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- Article