Cover Image, Volume 35, Issue 15.
- Published in:
- 2014
- Publication type:
- Other
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 15
Results: 9
1
2
gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 15, p. 1122, doi. 10.1002/jcc.23603
- By:
- Publication type:
- Article
3
S<sub>N</sub>1-S<sub>N</sub>2 and S<sub>N</sub>2-S<sub>N</sub>3 mechanistic changes revealed by transition states of the hydrolyses of benzyl chlorides and benzenesulfonyl chlorides.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 15, p. 1140, doi. 10.1002/jcc.23607
- By:
- Publication type:
- Article
4
Toward product control in ring-opening oligomerization of 9 H-9-borafluorenes.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 15, p. 1107, doi. 10.1002/jcc.23555
- By:
- Publication type:
- Article
5
Identifying essential pairwise interactions in elastic network model using the alpha shape theory.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 15, p. 1111, doi. 10.1002/jcc.23587
- By:
- Publication type:
- Article
6
Transferable pseudoclassical electrons for aufbau of atomic ions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 15, p. 1159, doi. 10.1002/jcc.23612
- By:
- Publication type:
- Article
7
Cover Image, Volume 35, Issue 15.
- Published in:
- 2014
- Publication type:
- Other
8
Using operators to expand the block matrices forming the Hessian of a molecular potential.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 15, p. 1149, doi. 10.1002/jcc.23609
- By:
- Publication type:
- Article
9
Toward the understanding of the environmental effects on core ionizations.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 15, p. 1131, doi. 10.1002/jcc.23604
- By:
- Publication type:
- Article