Works matching IS 01928651 AND DT 2023 AND VI 44 AND IP 26
Results: 6
FRAGMENTISE: A user‐friendly, cross‐platform tool to create and analyze comprehensive small‐molecule fragment databases.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 26, p. 2096, doi. 10.1002/jcc.27183
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- Publication type:
- Article
Exploring the inhibition mechanism of SARS‐CoV‐2 main protease by ebselen: A molecular docking, molecular dynamics simulation and DFT approach.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 26, p. 2086, doi. 10.1002/jcc.27181
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- Article
Analytical quadrature method using recurrence formulas for two‐electron integrals of frequency‐dependent Breit interaction.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 26, p. 2073, doi. 10.1002/jcc.27180
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- Article
DFT study on the catalytic decomposition of hydrogen peroxide by iron complexes of nitrilotriacetate.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 26, p. 2058, doi. 10.1002/jcc.27179
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- Publication type:
- Article
Constant advance replicas method for locating minimum energy paths and transition states.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 26, p. 2042, doi. 10.1002/jcc.27178
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 26, p. 2037, doi. 10.1002/jcc.26920
- Publication type:
- Article