Donor→acceptor coordination interactions in 1,3‐bis(NHC)triazenyl Cations: An electronic structure analysis.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 25, p. 2207, doi. 10.1002/jcc.25872
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2019 AND VI 40 AND IP 25
Results: 10
1
2
NBO 7.0: New vistas in localized and delocalized chemical bonding theory.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 25, p. 2234, doi. 10.1002/jcc.25873
- By:
- Publication type:
- Article
3
PyFrag 2019—Automating the exploration and analysis of reaction mechanisms.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 25, p. 2227, doi. 10.1002/jcc.25871
- By:
- Publication type:
- Article
4
Quantum effects on the stability of the He<sub>5</sub>I<sub>2</sub> van der Waals conformers.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 25, p. 2200, doi. 10.1002/jcc.25870
- By:
- Publication type:
- Article
5
autoCAS: A Program for Fully Automated Multiconfigurational Calculations.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 25, p. 2216, doi. 10.1002/jcc.25869
- By:
- Publication type:
- Article
6
On the geometry dependence of tuned‐range separated hybrid functionals.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 25, p. 2191, doi. 10.1002/jcc.25868
- By:
- Publication type:
- Article
7
Molecular dynamics simulation of anticancer drug delivery from carbon nanotube using metal nanowires.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 25, p. 2179, doi. 10.1002/jcc.25867
- By:
- Publication type:
- Article
8
Introduction of a bounded penalty function in contact‐assisted simulations of protein structures to omit false restraints.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 25, p. 2164, doi. 10.1002/jcc.25847
- By:
- Publication type:
- Article
9
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 25, p. 2159, doi. 10.1002/jcc.25442
- Publication type:
- Article
10
Cover Image, Volume 40, Issue 25.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 25, p. C1, doi. 10.1002/jcc.25439
- Publication type:
- Article