Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 3
Results: 6
The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy.
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- Journal of Computational Chemistry, 2024, v. 45, n. 3, p. 183, doi. 10.1002/jcc.27228
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- Article
Implementation of machine learning protocols to predict the hydrolysis reaction properties of organophosphorus substrates using descriptors of electron density topology.
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- Journal of Computational Chemistry, 2024, v. 45, n. 3, p. 170, doi. 10.1002/jcc.27227
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- Article
Benchmarking boron cluster calculations: Establishing reliable geometrical and energetic references for B<sub>n</sub> (n = 1–4).
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- Journal of Computational Chemistry, 2024, v. 45, n. 3, p. 159, doi. 10.1002/jcc.27226
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- Article
Response of the mechanical and chiral character of ethane to ultra‐fast laser pulses.
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- Journal of Computational Chemistry, 2024, v. 45, n. 3, p. 150, doi. 10.1002/jcc.27225
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- Article
Ionization, intrinsic basicity, and intrinsic acidity of unsaturated diols of astrochemical interest: 1,1‐ and 1,2‐ethenediol: A theoretical survey.
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- Journal of Computational Chemistry, 2024, v. 45, n. 3, p. 140, doi. 10.1002/jcc.27223
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 3, p. 135, doi. 10.1002/jcc.27136
- Publication type:
- Article