Numerical method based on Magnus expansion and a new shooting method for eigenvalues of Schrödinger equation.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 149, doi. 10.1002/qua.20496
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2005 AND VI 103 AND IP 2
Results: 12
1
2
Molecular structural conformations and hydration of internally hydrogen-bonded salicylic acid: Ab initio and DFT studies.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 127, doi. 10.1002/qua.20467
- By:
- Publication type:
- Article
3
Modeling the free radical polymerization of acrylates.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 176, doi. 10.1002/qua.20480
- By:
- Publication type:
- Article
4
Long-range π-type hydrogen bond in dimers CH<sub>2</sub>&bond;HF, CH<sub>2</sub>O&bond;H<sub>2</sub>O, and CH<sub>2</sub>O&bond;NH<sub>3</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 157, doi. 10.1002/qua.20481
- By:
- Publication type:
- Article
5
Effect of magnetic exchange, double exchange, vibronic coupling, and asymmetry on magnetic properties in d<sup>2</sup>–d<sup>3</sup> mixed-valence dimers.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 190, doi. 10.1002/qua.20494
- By:
- Publication type:
- Article
6
Effects of distortion–rotation of potential energy surfaces on absorption and resonance raman cross sections of trans-stilbene molecule.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 119, doi. 10.1002/qua.20497
- By:
- Publication type:
- Article
7
Nonlinear optical constants of polymers from molecular hyperpolarizabilities of donor–acceptor molecules.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 215, doi. 10.1002/qua.20498
- By:
- Publication type:
- Article
8
Theoretical study of two C<sub>50</sub>H<sub>40</sub> isomers with three dodecahedrane cages sharing two pentagons.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 167, doi. 10.1002/qua.20499
- By:
- Publication type:
- Article
9
Linear phosphorus–boron chains: model system with huge electronic first hyperpolarizability.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 226, doi. 10.1002/qua.20501
- By:
- Publication type:
- Article
10
Theoretical study of reaction channels for the weakly bound complex systems created with HF, CO<sub>2</sub>, and various amines.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 198, doi. 10.1002/qua.20502
- By:
- Publication type:
- Article
11
Graph theoretical procedure for obtaining analytical expressions of eigenspectra of linear chains and cycles with alternant vertex weights and same edge weight: Application to some complicated graphs.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 140, doi. 10.1002/qua.20503
- By:
- Publication type:
- Article
12
Obituary<FNR></FNR><FN>Translation of obituary appearing in the September Korean Academy of Science and Technology newsletter, vol 9, page 6, (2004) </FN>.
- Published in:
- 2005
- Publication type:
- Obituary