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Works matching IS 01928651 AND DT 2023 AND VI 44 AND IP 22

Results: 6

1

Front Cover.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 22, p. C1, doi. 10.1002/jcc.27189

By:

Wu, Mincong;
Liao, Jun;
Shu, Zirui;
Chen, Changjun

Publication type:

Article

2

Enhanced sampling in explicit solvent by deep learning module in FSATOOL.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 22, p. 1845, doi. 10.1002/jcc.27132

By:

Wu, Mincong;
Liao, Jun;
Shu, Zirui;
Chen, Changjun

Publication type:

Article

3

DFT potentials from a chemical perspective: Anatomy of electron (de)localization in molecules and crystals.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 22, p. 1817, doi. 10.1002/jcc.27131

By:

Levina, Elena O.;
Tsirelson, Vladimir G.

Publication type:

Article

4

BinderSpace: A package for sequence space analyses for datasets of affinity‐selected oligonucleotides and peptide‐based molecules.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 22, p. 1836, doi. 10.1002/jcc.27130

By:

Kelich, Payam;
Zhao, Huanhuan;
Orona, Jose R.;
Vuković, Lela

Publication type:

Article

5

Gas‐phase thermochemistry of noncovalent ligand–alkali metal ion clusters: An impact of low frequencies.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 22, p. 1807, doi. 10.1002/jcc.27129

By:

Otlyotov, Arseniy A.;
Minenkov, Yury

Publication type:

Article

6

Issue Information.

Published in:: Journal of Computational Chemistry, 2023, v. 44, n. 22, p. 1803, doi. 10.1002/jcc.26916
Publication type:: Article