Works matching IS 1432881X AND DT 2003 AND VI 110 AND IP 4
Results: 5
Generalized Christoffel–Darboux formulae and the frontier Kohn–Sham molecular orbitals.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 4, p. 267, doi. 10.1007/s00214-003-0446-2
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- Article
A derivation of the frozen-orbital unrestricted open-shell and restricted closed-shell second-order perturbation theory analytic gradient expressions.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 4, p. 233, doi. 10.1007/s00214-003-0453-3
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- Article
Towards a ‘‘next generation’’ neglect of diatomic differential overlap based semiempirical molecular orbital technique.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 4, p. 254, doi. 10.1007/s00214-003-0454-2
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- Article
A study with a complete-active-space self-consistent-field plus density functional theory combination: The low-lying bound states of N<sub>2</sub>.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 4, p. 276, doi. 10.1007/s00214-003-0457-z
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- Article
Resistance distance and Laplacian spectrum.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 4, p. 284, doi. 10.1007/s00214-003-0460-4
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- Article