A new protocol for the identification of singlet fission sensitizers through computational screening.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 31, p. 2241, doi. 10.1002/jcc.26753
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2021 AND VI 42 AND IP 31
Results: 7
1
2
Normal‐mode driven exploration of protein domain motions.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 31, p. 2250, doi. 10.1002/jcc.26755
- Publication type:
- Article
3
Boosting the conformational sampling by combining replica exchange with solute tempering and well‐sliced metadynamics.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 31, p. 2233, doi. 10.1002/jcc.26752
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- Publication type:
- Article
4
Free energy of micellization of dodecyl phosphocholine (DPC) from molecular simulation: Hybrid PEACH‐BAR method.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 31, p. 2221, doi. 10.1002/jcc.26751
- By:
- Publication type:
- Article
5
Temperature‐dependent structural fluctuation and its effect on the electronic structure and charge transport in hybrid perovskite CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 31, p. 2213, doi. 10.1002/jcc.26750
- By:
- Publication type:
- Article
6
The role of electric field on decomposition of CL‐20/HMX cocrystal: A reactive molecular dynamics study.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 31, p. 2202, doi. 10.1002/jcc.26748
- By:
- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 31, p. 2197, doi. 10.1002/jcc.26345
- Publication type:
- Article