Works matching IS 1432881X AND DT 2005 AND VI 113 AND IP 2
Results: 7
Graphs to chemical structures 2. Extended sphericity indices of cycles for stereochemical extension of Pólya’s coronas.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 2, p. 80, doi. 10.1007/s00214-004-0606-z
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- Article
Graphs to chemical structures 1. Sphericity indices of cycles for stereochemical extension of Pólya’s theorem.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 2, p. 73, doi. 10.1007/s00214-004-0605-0
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- Article
Accurate ab intio determination of binding energies for rare-gas dimers by basis set extrapolation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 2, p. 87, doi. 10.1007/s00214-004-0616-x
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- Article
Density-functional theory and hybrid density-functional theory continuum solvation models for aqueous and organic solvents: universal SM5.43 and SM5.43R solvation models for any fraction of Hartree-Fock exchange.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 2, p. 107, doi. 10.1007/s00214-004-0614-z
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- Article
Gaussian basis sets for CO<sub>2</sub> molecule generated with the molecular improved generator coordinate Hartree-Fock method.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 2, p. 69, doi. 10.1007/s00214-004-0617-9
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- Article
Symmetry or asymmetry in cheletropic additions forming cyclopropanes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 2, p. 95, doi. 10.1007/s00214-004-0612-1
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- Article
Rotational cooling of Li<sub>2</sub>(<sup>1</sup>S<sup>+</sup><sub>g</sub>) molecules by ultracold collisions with an He gas buffer.
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- 2005
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