Announcements.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 378, doi. 10.1002/qua.20568
- Publication type:
- Article
Works matching IS 00207608 AND DT 2005 AND VI 102 AND IP 4
Results: 14
1
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Ab Initio QM/MM Study of Excited State Electron Transfer Between Pyrene and 4,4′-Bis(dimethylamino)-diphenylmethane With Different Solvent Systems: Role of Hydrogen Bonding Within Solvent Molecules.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 368, doi. 10.1002/qua.20417
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- Publication type:
- Article
3
Density Functional Study of HO(H<sub>2</sub>O)<sub>n</sub> (n = 1-3) Clusters.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 461, doi. 10.1002/qua.20415
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- Publication type:
- Article
4
Binding of Singlet Oxygen With a Stacked Guanine Dimer.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 435, doi. 10.1002/qua.20414
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- Publication type:
- Article
5
Study of Metal Ions (Na<sup>+</sup>, K<sup>+</sup>) Interaction With Different Conformations of Glycine Molecule.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 427, doi. 10.1002/qua.20413
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- Publication type:
- Article
6
Many-Body Energy Decomposition Analysis of Cooperativity in Hydrogen Fluoride Clusters.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 443, doi. 10.1002/qua.20401
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- Publication type:
- Article
7
Efficient Generation of Distributed Spherical Gaussian Basis Sets for Molecules.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 353, doi. 10.1002/qua.20397
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- Publication type:
- Article
8
B3LYP, BLYP and PBE DFT Band Structures of the Nucleotide Base Stacks.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 422, doi. 10.1002/qua.20394
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- Publication type:
- Article
9
Study of the Molecular Configuration and the Dipole Moment in Fluorinated Liquid Crystals.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 415, doi. 10.1002/qua.20392
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- Publication type:
- Article
10
Ab Initio EPR Study of S<sub>3</sub><sup>-</sup> and Se<sub>3</sub><sup>-</sup> Defects in Alkali Halides.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 409, doi. 10.1002/qua.20389
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- Publication type:
- Article
11
Comparative Study of Kinetics and Reactivity Indices of Free Radical Polymerization Reaction.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 454, doi. 10.1002/qua.20388
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- Publication type:
- Article
12
Principal Component Analysis of the Effects of Wavefunction Modification on the Electrostatic Potential of Indole.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 379, doi. 10.1002/qua.20380
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- Publication type:
- Article
13
Scaling Behavior of Ground-State Energy Cluster Expansion for Linear Polyenes.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 387, doi. 10.1002/qua.20300
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- Publication type:
- Article
14
Theoretical Study of the Unimolecular Decomposition Mechanisms of Energetic TNAD and TNAZ Explosives.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 4, p. 398, doi. 10.1002/qua.20284
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- Publication type:
- Article