Issue Information.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 17, p. 1179, doi. 10.1002/jcc.26694
- Publication type:
- Article
Works matching IS 01928651 AND DT 2021 AND VI 42 AND IP 17
Results: 7
1
2
Modeling ligand electrochemical parameters by repulsion‐corrected eigenvalues.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 17, p. 1236, doi. 10.1002/jcc.26536
- By:
- Publication type:
- Article
3
Equilibrium between tri‐ and tetra‐coordinate chalcogenuranes is critical for cysteine protease inhibition.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 17, p. 1225, doi. 10.1002/jcc.26535
- By:
- Publication type:
- Article
4
Modeling UV–Vis spectra of low dimensional materials using electrostatic embedding: The case of CdSe.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 17, p. 1212, doi. 10.1002/jcc.26534
- By:
- Publication type:
- Article
5
Free energy change estimation: The Divide and Conquer MBAR method.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 17, p. 1204, doi. 10.1002/jcc.26533
- By:
- Publication type:
- Article
6
Understanding the molecular mechanism of γ‐elimination of nitrous acid in the framework of the molecular electron density theory.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 17, p. 1195, doi. 10.1002/jcc.26532
- By:
- Publication type:
- Article
7
Fast non‐iterative calculation of solvation energies for water and non‐aqueous solvents.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 17, p. 1184, doi. 10.1002/jcc.26531
- By:
- Publication type:
- Article