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Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 28

Results: 6

1

Encapsulation effect of π ‐conjugated quaterthiophene on the radial breathing and tangential modes of semiconducting and metallic single‐walled carbon nanotubes.

Published in:

Journal of Computational Chemistry, 2020, v. 41, n. 28, p. 2420, doi. 10.1002/jcc.26408

By:

Chenouf, Jamal;
Boutahir, Mourad;
Fakrach, Brahim;
Rahmani, Abdelhai;
Chadli, Hassane;
Hermet, Patrick;
Mejía‐López, Jose;
Rahmani, Abdelali

Publication type:

Article

2

Comprehensive 3D‐RISM analysis of the hydration of small molecule binding sites in ligand‐free protein structures.

Published in:

Journal of Computational Chemistry, 2020, v. 41, n. 28, p. 2406, doi. 10.1002/jcc.26406

By:

Yoshidome, Takashi;
Ikeguchi, Mitsunori;
Ohta, Masateru

Publication type:

Article

3

Effect of substitution on the bonding in He dimer confined within dodecahedrane: A computational study.

Published in:

Journal of Computational Chemistry, 2020, v. 41, n. 28, p. 2398, doi. 10.1002/jcc.26403

By:

Jana, Gourhari;
Chattaraj, Pratim K.

Publication type:

Article

4

Modeling the effect of ion‐induced shock waves and DNA breakage with the reactive CHARMM force field.

Published in:

Journal of Computational Chemistry, 2020, v. 41, n. 28, p. 2429, doi. 10.1002/jcc.26399

By:

Friis, Ida;
Verkhovtsev, Alexey;
Solov'yov, Ilia A.;
Solov'yov, Andrey V.

Publication type:

Article

5

DFT, DLPNO‐CCSD(T), and NEVPT2 benchmark study of the reaction between ferrocenium and trimethylphosphine.

Published in:

Journal of Computational Chemistry, 2020, v. 41, n. 28, p. 2388, doi. 10.1002/jcc.26398

By:

Chamkin, Aleksandr A.;
Serkova, Elena S.

Publication type:

Article

6

Issue Information.

Published in:: Journal of Computational Chemistry, 2020, v. 41, n. 28, p. 2383, doi. 10.1002/jcc.25984
Publication type:: Article