Analysis of pseudo jahn–teller distortion based on natural bond orbital theory: Case study for silicene.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 15, p. 1488, doi. 10.1002/jcc.25815
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2019 AND VI 40 AND IP 15
Results: 8
1
2
Temperature–pressure shuffling outlier flooding method enhances the conformational sampling of proteins.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 15, p. 1530, doi. 10.1002/jcc.25806
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- Publication type:
- Article
3
DeepIon: Deep learning approach for classifying ion transporters and ion channels from membrane proteins.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 15, p. 1521, doi. 10.1002/jcc.25805
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- Publication type:
- Article
4
Dcdftbmd: Divide‐and‐Conquer Density Functional Tight‐Binding Program for Huge‐System Quantum Mechanical Molecular Dynamics Simulations.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 15, p. 1538, doi. 10.1002/jcc.25804
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- Publication type:
- Article
5
To Be or Not to Be: Demystifying the 2nd‐Quantized Picture of Complex Electronic Configuration Patterns in Chemistry with Natural Poly‐Electron Population Analysis.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 15, p. 1509, doi. 10.1002/jcc.25803
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- Publication type:
- Article
6
RMSD and Symmetry.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 15, p. 1496, doi. 10.1002/jcc.25802
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- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 15, p. 1483, doi. 10.1002/jcc.25422
- Publication type:
- Article
8
Cover Image, Volume 40, Issue 15.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 15, p. C1, doi. 10.1002/jcc.25419
- Publication type:
- Article