Hopping kinetics on a finite 1D chain: An exact analysis.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2889, doi. 10.1002/qua.21143
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2006 AND VI 106 AND IP 14
Results: 21
1
2
Ab initio study of the structural properties of ascorbic acid (vitamin C).
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2934, doi. 10.1002/qua.21118
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- Publication type:
- Article
3
Comprehensive theoretical study towards the accurate proton affinity values of naturally occurring amino acids.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2920, doi. 10.1002/qua.21117
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- Publication type:
- Article
4
BSSE-free hardness profiles of hydrogen bond exchange in the hydrogen fluoride dimer.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2910, doi. 10.1002/qua.21116
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- Publication type:
- Article
5
Analytical evaluation of molecular electronic integrals using Poisson's equation: Exponential-type orbitals and atom pairs.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2881, doi. 10.1002/qua.21114
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- Publication type:
- Article
6
D. R. Alcoba, C. Valdemoro. Spin structure and properties of the correlation matrices corresponding to pure spin states: Controlling the S-representability of these matrices, International Journal of Quantum Chemistry (2005) 102(5) 629–644.
- Published in:
- 2006
- By:
- Publication type:
- Erratum
7
Searching for the minimum energy path in the sulfuryl transfer reaction catalyzed by human estrogen sulfotransferase: Role of enzyme dynamics.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2981, doi. 10.1002/qua.21123
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- Publication type:
- Article
8
Local minima conformations of the Sc<sub>3</sub>N @C<sub>80</sub> endohedral complex: Ab initio quantum chemical study and suggestions for experimental verification.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2975, doi. 10.1002/qua.21122
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- Publication type:
- Article
9
Polarizabilities of hydrated and free ions derived from DFT calculations.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2960, doi. 10.1002/qua.21121
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- Publication type:
- Article
10
Nonequilibrium dynamics of single polymer molecules: Relaxation close to and far from equilibrium.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2953, doi. 10.1002/qua.21120
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- Publication type:
- Article
11
Quantum chemical study of the mechanism of action of vitamin K epoxide reductase (VKOR).
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2944, doi. 10.1002/qua.21119
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- Publication type:
- Article
12
Electrostatic potential as a measure of gas phase carbocation stability.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2904, doi. 10.1002/qua.21115
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- Publication type:
- Article
13
Dissociation of the fluorine molecule: CASCCSD method and other many-particle models.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2875, doi. 10.1002/qua.21113
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- Publication type:
- Article
14
Extension of the active-space equation-of-motion coupled-cluster methods to radical systems: The EA-EOMCCSDt and IP-EOMCCSDt approaches.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2854, doi. 10.1002/qua.21112
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- Publication type:
- Article
15
Floquet versus non-Floquet solutions for a periodic Hamiltonian.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2848, doi. 10.1002/qua.21111
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- Publication type:
- Article
16
Some theoretical problems in chemistry and physics.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2836, doi. 10.1002/qua.21110
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- Publication type:
- Article
17
Helium fine structure: Unsolved many-body-QED Problem.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2833, doi. 10.1002/qua.21109
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- Publication type:
- Article
18
The normal and cancerous living cell.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2827, doi. 10.1002/qua.21108
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- Publication type:
- Article
19
List of participants.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2820, doi. 10.1002/qua.21107
- Publication type:
- Article
20
Preface.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2819, doi. 10.1002/qua.21106
- By:
- Publication type:
- Article
21
Double-pole approximation in time-dependent density functional theory.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 14, p. 2840, doi. 10.1002/qua.20964
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- Publication type:
- Article