Two novel semiconducting B<sub>2</sub>CO monolayers with high carrier mobilities.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 28, p. 2024, doi. 10.1002/jcc.26735
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2021 AND VI 42 AND IP 28
Results: 7
1
2
AutoMeKin2021: An open‐source program for automated reaction discovery.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 28, p. 2036, doi. 10.1002/jcc.26734
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- Publication type:
- Article
3
Hydration of selenolate moiety: Ab initio investigation of properties of O–H⋯Se(–) hydrogen bonds in CH<sub>3</sub>Se(–)⋯(H<sub>2</sub>O)<sub>n</sub> clusters.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 28, p. 2014, doi. 10.1002/jcc.26733
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- Publication type:
- Article
4
MCML: Combining physical constraints with experimental data for a multi‐purpose meta‐generalized gradient approximation.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 28, p. 2004, doi. 10.1002/jcc.26732
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- Publication type:
- Article
5
CAN: A new program to streamline preparation of molecular coordinate files for molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 28, p. 2031, doi. 10.1002/jcc.26729
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- Publication type:
- Article
6
Mean force based temperature accelerated sliced sampling: Efficient reconstruction of high dimensional free energy landscapes.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 28, p. 1996, doi. 10.1002/jcc.26727
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- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 28, p. 1991, doi. 10.1002/jcc.26334
- Publication type:
- Article