Reliable radical stabilization energies from diffusion Monte Carlo calculations.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 27, p. 2378, doi. 10.1002/jcc.26397
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 27
Results: 7
1
2
Fitting continuum wavefunctions with complex Gaussians: Computation of ionization cross sections.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 27, p. 2365, doi. 10.1002/jcc.26396
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- Publication type:
- Article
3
The ENUF method—Ewald summation based on nonuniform fast Fourier transform: Implementation, parallelization, and application.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 27, p. 2316, doi. 10.1002/jcc.26395
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- Publication type:
- Article
4
Accurate prediction of norbornadiene cycle enthalpies by DLPNO‐CCSD(T<sub>1</sub>)/CBS method.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 27, p. 2352, doi. 10.1002/jcc.26394
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- Publication type:
- Article
5
Potential energy function for a photo‐switchable lipid molecule.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 27, p. 2336, doi. 10.1002/jcc.26387
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- Publication type:
- Article
6
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 27, p. 2311, doi. 10.1002/jcc.25980
- Publication type:
- Article
7
Cover Image.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 27, p. C1, doi. 10.1002/jcc.25979
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- Publication type:
- Article