The cyclic cluster model at hartree-fock level.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 11, p. 839, doi. 10.1002/jcc.23550
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 11
Results: 10
1
2
Maxima of.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 11, p. 854, doi. 10.1002/jcc.23561
- By:
- Publication type:
- Article
3
Cover Image, Volume 35, Issue 11.
- Published in:
- 2014
- Publication type:
- Other
4
A two-step reaction scheme leading to singlet carbene species that can be detected under matrix conditions for the reaction of Zr(<sup>3</sup>F) with either CH<sub>3</sub>F or CH<sub>3</sub>CN.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 11, p. 883, doi. 10.1002/jcc.23564
- By:
- Publication type:
- Article
5
Cover Image, Volume 35, Issue 11.
- Published in:
- 2014
- Publication type:
- Other
6
Fast, metadynamics-based method for prediction of the stereochemistry-dependent relative free energies of ligand-receptor interactions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 11, p. 876, doi. 10.1002/jcc.23563
- By:
- Publication type:
- Article
7
Quantum-chemical analyses of aromaticity, UV spectra, and NMR chemical shifts in plumbacyclopentadienylidenes stabilized by Lewis bases.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 11, p. 847, doi. 10.1002/jcc.23556
- By:
- Publication type:
- Article
8
Cover Image, Volume 35, Issue 11.
- Published in:
- 2014
- Publication type:
- Other
9
Significant nonlinear-optical switching capacity in atomic clusters built from silicon and lithium: A combined ab initio and density functional study.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 11, p. 829, doi. 10.1002/jcc.23549
- By:
- Publication type:
- Article
10
Design of a reaction field using a linear-combination-based isotropic periodic sum method.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 11, p. 865, doi. 10.1002/jcc.23562
- By:
- Publication type:
- Article