On Calculations of Correlated Wave Functions with Heavy Configurational Mixing.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 3, p. 250, doi. 10.1002/qua.20390
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2005 AND VI 102 AND IP 3
Results: 10
1
2
Chemical Reaction Dynamics of PeCB and TCDD Decomposition: A Tight-Binding Quantum Chemical Molecular Dynamics Study with First-Principles Parameterization.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 3, p. 318, doi. 10.1002/qua.20396
- By:
- Publication type:
- Article
3
Mismatch Base Pairing of the Mutagen 8-Oxoguanine and Its Derivatives with Adenine: A Theoretical Search for Possible Antimutagenic Agents.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 3, p. 343, doi. 10.1002/qua.20395
- By:
- Publication type:
- Article
4
Pulse Function for Control of the Coherent Excitation in Stimulated Raman Spectroscopy.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 3, p. 313, doi. 10.1002/qua.20393
- By:
- Publication type:
- Article
5
A Theoretical Investigation of the Interaction between H, Li, Na, K, and Fullerenes.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 3, p. 302, doi. 10.1002/qua.20387
- By:
- Publication type:
- Article
6
Green's Function Calculation of Through-Bond Electronic Coupling in Donor-Bridge-Acceptor Model Systems II: Importance Factors Applied to Atomic Sites.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 3, p. 265, doi. 10.1002/qua.20385
- By:
- Publication type:
- Article
7
Role of the Electronic Properties of Azurin Active Site in the Electron-Transfer Process.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 3, p. 328, doi. 10.1002/qua.20374
- By:
- Publication type:
- Article
8
Theoretical Study of Two C<sub>30</sub>H<sub>20</sub> Isomers With a Dodecahedrane Cage and Two Pentaprismane Cages Sharing Two Pentagons.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 3, p. 275, doi. 10.1002/qua.20372
- By:
- Publication type:
- Article
9
Theoretical Study of ANTO Molecular Systems: Causes of Insensitivity of the Energetic Compound NTO.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 3, p. 239, doi. 10.1002/qua.20368
- By:
- Publication type:
- Article
10
Interaction of Singlet Oxygen And Superoxide Radical Anion With Guanine and Formation of Its Mutagenic Modification 8-Oxoguanine.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 3, p. 282, doi. 10.1002/qua.20272
- By:
- Publication type:
- Article