Adsorption and dissociation of carbon trioxide on Ag(100).
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 946, doi. 10.1002/qua.22035
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2010 AND VI 110 AND IP 4
Results: 19
1
2
Obtaining positions and widths of scattering resonances from a complex multiconfigurational self-consistent field state using the M<sub>1</sub> method.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 798, doi. 10.1002/qua.22047
- By:
- Publication type:
- Article
3
[80]Fullerene–amino acid interactions: Theoretical insights.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 953, doi. 10.1002/qua.21780
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- Publication type:
- Article
4
Intramolecular hydrogen bonding in structural conformers of 2-amino methylene malonaldehyde: AIM and NBO studies.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 821, doi. 10.1002/qua.21795
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- Publication type:
- Article
5
Endo[metallo] SWNT-amino acid interactions: A theoretical study.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 831, doi. 10.1002/qua.21818
- By:
- Publication type:
- Article
6
Intramolecular hydrogen bond in 3-imino-propenylamine isomers: AIM and NBO studies.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 893, doi. 10.1002/qua.21955
- By:
- Publication type:
- Article
7
Theoretical analysis of aggregation in block-copolymer films: The optical signature.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 885, doi. 10.1002/qua.21979
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- Publication type:
- Article
8
High-spin states in tetrahedral X<sub>4</sub> clusters (X = H, Li, Na, K).
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 874, doi. 10.1002/qua.21987
- By:
- Publication type:
- Article
9
Mechanism of rhodium-catalyzed hydroacylation of propylene using formaldehyde: A computational study.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 850, doi. 10.1002/qua.21992
- By:
- Publication type:
- Article
10
Theoretical calculation of the low laying electronic states of the molecular ion RbH<sup>+</sup>.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 787, doi. 10.1002/qua.22001
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- Publication type:
- Article
11
The influence of M...M attraction on nonlinear optical properties of (XMPH<sub>3</sub>)<sub>2</sub> (X = F, Cl; and M = Au, Ag and Cu): A theoretical study.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 865, doi. 10.1002/qua.22003
- By:
- Publication type:
- Article
12
Computational study on the comparative synthesis of energetic FOX-7 derivatives.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 813, doi. 10.1002/qua.22020
- By:
- Publication type:
- Article
13
A theoretical study on three conformational structures of 2,6-distyrylpyridine.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 838, doi. 10.1002/qua.22024
- By:
- Publication type:
- Article
14
The monomolecular mechanism of the gas-phase thermal decomposition of primary N-nitramines.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 939, doi. 10.1002/qua.22036
- By:
- Publication type:
- Article
15
Electron invariants and excited state structural analysis for electronic transitions within CIS, RPA, and TDDFT models.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 902, doi. 10.1002/qua.22041
- By:
- Publication type:
- Article
16
Quasi-classical trajectory study on He+H<STACK><sub>2</sub><sup>+</sup></STACK>/D<STACK><sub>2</sub><sup>+</sup></STACK>/T<STACK><sub>2</sub><sup>+</sup></STACK> reactions.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 860, doi. 10.1002/qua.22052
- By:
- Publication type:
- Article
17
Book reviews.
- Published in:
- 2010
- By:
- Publication type:
- Book Review
18
Equivalent potential of water for electronic structure of asparagine.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 925, doi. 10.1002/qua.22336
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- Publication type:
- Article
19
Erratum: Mutual conversion of three flavors of Gaussian type orbitals.
- Published in:
- 2010
- By:
- Publication type:
- Erratum