Are water–aromatic complexes always stabilized due to π–H interactions? LMP2 study.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 3, p. 335, doi. 10.1002/qua.20558
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2005 AND VI 104 AND IP 3
Results: 10
1
2
Electronic structures and spectra for triepoxides of fullerene C<sub>78</sub>O<sub>3</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 3, p. 279, doi. 10.1002/qua.20604
- By:
- Publication type:
- Article
3
Theoretical study on the reaction mechanism and thermodynamics of tin oxidation by oxygen species and chlorine species.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 3, p. 367, doi. 10.1002/qua.20570
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- Publication type:
- Article
4
Energy decomposition scheme for combined ab initio quantum mechanical / molecular mechanical methods.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 3, p. 328, doi. 10.1002/qua.20571
- By:
- Publication type:
- Article
5
Theoretical study of the ring-closing reaction of 5′-AMP to cAMP and H<sub>2</sub>O in the gas phase.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 3, p. 373, doi. 10.1002/qua.20572
- By:
- Publication type:
- Article
6
Potential energy surface of the reaction of imidazole with peroxynitrite: Density functional theory study.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 3, p. 342, doi. 10.1002/qua.20603
- By:
- Publication type:
- Article
7
Quantum chemical studies on molecular structural conformations and hydrated forms of salicylamide and O-hydroxybenzoyl cyanide.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 3, p. 286, doi. 10.1002/qua.20559
- By:
- Publication type:
- Article
8
Charge distributions in polyacetylene chains containing a positively charged defect.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 3, p. 354, doi. 10.1002/qua.20605
- By:
- Publication type:
- Article
9
Correlated one-electron wave functions.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 3, p. 299, doi. 10.1002/qua.20607
- By:
- Publication type:
- Article
10
Yuri Alexeev, Theresa L. Windus, Chang-Guo Zhan, David A. Dixon, Erratum to “Accurate heats of formation and acidities for H<sub>3</sub>PO<sub>4</sub>, H<sub>2</sub>SO<sub>4</sub>, and H<sub>2</sub>CO<sub>3</sub> from ab initio electronic structure calculations,” International Journal of Quantum Chemistry (2005) 102(5) 775–784
- Published in:
- 2005
- By:
- Publication type:
- Erratum