Cover Image.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 4, p. i, doi. 10.1002/jcc.26805
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 4
Results: 8
1
2
Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl<sub>4</sub> solution.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 4, p. 279, doi. 10.1002/jcc.26788
- By:
- Publication type:
- Article
3
Toward universal substituent constants: Transferability of group descriptors from the quantum theory of atoms in molecules.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 4, p. 265, doi. 10.1002/jcc.26787
- By:
- Publication type:
- Article
4
Efficient prediction for high precision CO‐N<sub>2</sub> potential energy surface by stacking ensemble DNN.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 4, p. 244, doi. 10.1002/jcc.26785
- By:
- Publication type:
- Article
5
XGBoost‐based intelligence yield prediction and reaction factors analysis of amination reaction.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 4, p. 289, doi. 10.1002/jcc.26791
- By:
- Publication type:
- Article
6
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 4, p. 225, doi. 10.1002/jcc.26575
- Publication type:
- Article
7
Picture‐word order compound protein interaction: Predicting compound‐protein interaction using structural images of compounds.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 4, p. 255, doi. 10.1002/jcc.26786
- By:
- Publication type:
- Article
8
Assessment of the van der Waals, Hubbard U parameter and spin‐orbit coupling corrections on the 2D/3D structures from metal gold congeners clusters.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 4, p. 230, doi. 10.1002/jcc.26784
- By:
- Publication type:
- Article