The ONIOM method: its foundation and applications to metalloenzymes and photobiology.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 2, p. 327, doi. 10.1002/wcms.85
- By:
- Publication type:
- Article
Works matching IS 17590876 AND DT 2012 AND VI 2 AND IP 2
Results: 10
1
2
Multi-electron integrals.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 2, p. 290, doi. 10.1002/wcms.78
- By:
- Publication type:
- Article
3
Wavefunction methods for noncovalent interactions.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 2, p. 304, doi. 10.1002/wcms.84
- By:
- Publication type:
- Article
4
Homodesmotic reactions for thermochemistry.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 2, p. 204, doi. 10.1002/wcms.72
- By:
- Publication type:
- Article
5
Spin-orbit coupling and intersystem crossing in molecules.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 2, p. 187, doi. 10.1002/wcms.83
- By:
- Publication type:
- Article
6
Studying molecular quantum dynamics with the multiconfiguration time-dependent Hartree method.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 2, p. 351, doi. 10.1002/wcms.87
- By:
- Publication type:
- Article
7
Molpro: a general-purpose quantum chemistry program package.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 2, p. 242, doi. 10.1002/wcms.82
- By:
- Publication type:
- Article
8
Anharmonic molecular force fields.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 2, p. 273, doi. 10.1002/wcms.75
- By:
- Publication type:
- Article
9
Symmetry-adapted perturbation theory of intermolecular forces.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 2, p. 254, doi. 10.1002/wcms.86
- By:
- Publication type:
- Article
10
Mechanisms of branch formation in metal-catalyzed ethene polymerization.
- Published in:
- WIREs: Computational Molecular Science, 2012, v. 2, n. 2, p. 221, doi. 10.1002/wcms.79
- By:
- Publication type:
- Article