Cover Image, Volume 35, Issue 28.
- Published in:
- 2014
- Publication type:
- Other
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 28
Results: 9
1
2
Predicting hydration energies for multivalent ions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 28, p. 2070, doi. 10.1002/jcc.23733
- By:
- Publication type:
- Article
3
Kinetics of radical-molecule reactions in aqueous solution: A benchmark study of the performance of density functional methods.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 28, p. 2019, doi. 10.1002/jcc.23715
- By:
- Publication type:
- Article
4
Importance of cytochromes in cyclization reactions: Quantum chemical study on a model reaction of proguanil to cycloguanil.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 28, p. 2047, doi. 10.1002/jcc.23719
- By:
- Publication type:
- Article
5
Cover Image, Volume 35, Issue 28.
- Published in:
- 2014
- Publication type:
- Other
6
Resolutions of the Coulomb operator: VIII. Parallel implementation using the modern programming language X10.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 28, p. 2056, doi. 10.1002/jcc.23720
- By:
- Publication type:
- Article
7
SLIM: An improved generalized Born implicit membrane model.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 28, p. 2027, doi. 10.1002/jcc.23717
- By:
- Publication type:
- Article
8
The CHARMM-TURBOMOLE interface for efficient and accurate QM/MM molecular dynamics, free energies, and excited state properties.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 28, p. 2076, doi. 10.1002/jcc.23716
- By:
- Publication type:
- Article
9
Predicting backbone Cα angles and dihedrals from protein sequences by stacked sparse auto-encoder deep neural network.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 28, p. 2040, doi. 10.1002/jcc.23718
- By:
- Publication type:
- Article