Free energy calculations, enhanced by a gaussian ansatz, for the 'chemical work' distribution.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 13, p. 1024, doi. 10.1002/jcc.23590
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 13
Results: 9
1
2
Cover Image, Volume 35, Issue 13.
- Published in:
- 2014
- Publication type:
- Other
3
QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 13, p. 1036, doi. 10.1002/jcc.23576
- By:
- Publication type:
- Article
4
Cover Image, Volume 35, Issue 13.
- Published in:
- 2014
- Publication type:
- Other
5
Extraction of site-site bridge functions and effective pair potentials from simulations of polar molecular liquids.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 13, p. 1010, doi. 10.1002/jcc.23586
- By:
- Publication type:
- Article
6
Investigation of the distinction between van der Waals interaction and chemical bonding based on the PAEM-MO diagram.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 13, p. 965, doi. 10.1002/jcc.23570
- By:
- Publication type:
- Article
7
Electronegativity estimator built on QTAIM-based domains of the bond electron density.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 13, p. 978, doi. 10.1002/jcc.23574
- By:
- Publication type:
- Article
8
The reactions of Cr(CO)<sub>6</sub>, Fe(CO)<sub>5</sub>, and Ni(CO)<sub>4</sub> with O<sub>2</sub> yield viable oxo-metal carbonyls.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 13, p. 998, doi. 10.1002/jcc.23585
- By:
- Publication type:
- Article
9
A balanced procedure for the treatment of cluster-ligand interactions on gold phosphine systems in catalysis.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 13, p. 986, doi. 10.1002/jcc.23578
- By:
- Publication type:
- Article