Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 29
Results: 7
Foreword to the special issue on machine learning/artificial intelligence.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 29, p. 2430, doi. 10.1002/jcc.27460
- By:
- Publication type:
- Article
A variant on the CREST iMTD algorithm for noncovalent clusters of flexible molecules.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 29, p. 2431, doi. 10.1002/jcc.27458
- By:
- Publication type:
- Article
A systematic first‐principles investigation of the structural, electronic, mechanical, optical, and thermodynamic properties of Half‐Heusler ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) for spintronics and optoelectronics applications.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 29, p. 2476, doi. 10.1002/jcc.27455
- By:
- Publication type:
- Article
Computational predictions of cocrystal formation: A benchmark study of 28 assemblies comparing five methods from high‐throughput to advanced models.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 29, p. 2465, doi. 10.1002/jcc.27454
- By:
- Publication type:
- Article
Carbamic acid and its dimer: A computational study.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 29, p. 2501, doi. 10.1002/jcc.27442
- By:
- Publication type:
- Article
Intermolecular interaction energies with AROFRAG–A systematic approach for fragmentation of aromatic molecules.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 29, p. 2446, doi. 10.1002/jcc.27429
- By:
- Publication type:
- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 29, p. 2425, doi. 10.1002/jcc.27162
- Publication type:
- Article