Works matching IS 1432881X AND DT 2010 AND VI 127 AND IP 3
Results: 14
Toward a physical understanding of electron-sharing two-center bonds. II. Pseudo-potential based analysis of diatomic molecules.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 237, doi. 10.1007/s00214-010-0758-y
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A Hartree-Fock approach to the Steklov eigenproblem for a two-electron atom in an s state.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 231, doi. 10.1007/s00214-010-0754-2
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Dispersion-corrected energy barriers for silylene addition to white phosphorus, a density functional investigation into substituent effects.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 223, doi. 10.1007/s00214-010-0750-6
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Energy landscapes: topographies, interparticle forces and dynamics, and how they are related.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 203, doi. 10.1007/s00214-010-0741-7
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Editorial.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 109, doi. 10.1007/s00214-010-0812-9
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To what question is the clamped-nuclei electronic potential the answer?
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 121, doi. 10.1007/s00214-009-0594-0
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Stacking of triphenylene: characterization of the potential energy surface.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 133, doi. 10.1007/s00214-009-0661-6
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Chemical bonding in 'early-late' transition metal complexes [(HN)M-M′(CO)] (M = Ti, Zr, Hf; M′ = Co, Rh, Ir).
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 141, doi. 10.1007/s00214-009-0696-8
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An empirical formula to estimate off-diagonal adiabatic corrections to rotation-vibrational energy levels.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 149, doi. 10.1007/s00214-009-0710-1
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Spectroscopy of H with energies above the barrier to linearity: rovibrational transitions in the range of 10,000-14,000 cm.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 157, doi. 10.1007/s00214-009-0711-0
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S-matrix theory of high harmonic generation and ionization of coherently ro-vibrating linear molecules by intense ultrashort laser pulses.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 175, doi. 10.1007/s00214-009-0712-z
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Relativistic effects on the Fukui function.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 195, doi. 10.1007/s00214-009-0722-x
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Temperature effects for vibrational relaxation of hydrogen adsorbed on Si(100): a stochastic multiconfigurational time-dependent Hartree (MCTDH) study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 183, doi. 10.1007/s00214-009-0721-y
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Orbital relaxation and the third-order induction energy in symmetry-adapted perturbation theory.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 211, doi. 10.1007/s00214-010-0748-0
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