Deciphering excited state properties utilizing algebraic diagrammatic construction schemes of decreasing order.
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- Journal of Computational Chemistry, 2021, v. 42, n. 11, p. 793, doi. 10.1002/jcc.26499
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2021 AND VI 42 AND IP 11
Results: 7
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To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC.
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- Journal of Computational Chemistry, 2021, v. 42, n. 11, p. 787, doi. 10.1002/jcc.26498
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- Publication type:
- Article
3
Multipolar electrostatics for hairpin and pseudoknots in RNA: Improving the accuracy of force field potential energy function.
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- Journal of Computational Chemistry, 2021, v. 42, n. 11, p. 771, doi. 10.1002/jcc.26497
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- Publication type:
- Article
4
Simple position and orientation preconditioning scheme for minimum energy path calculations.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 11, p. 761, doi. 10.1002/jcc.26495
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- Publication type:
- Article
5
Toward efficient generation, correction, and properties control of unique drug‐like structures.
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- Journal of Computational Chemistry, 2021, v. 42, n. 11, p. 746, doi. 10.1002/jcc.26494
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- Publication type:
- Article
6
Application of artificial neural network and global optimization techniques for high throughput modeling of the crystal structure of stannites and kesterites.
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- Journal of Computational Chemistry, 2021, v. 42, n. 11, p. 740, doi. 10.1002/jcc.26493
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- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 11, p. 735, doi. 10.1002/jcc.26266
- Publication type:
- Article