Works matching IS 00207608 AND DT 2021 AND VI 121 AND IP 12

Results: 12

Prediction of a new quaternary Heusler alloy within a good electrical response at high temperature for spintronics applications: DFT calculations.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26647

By:

Rached, Habib

Publication type:

Article

Plasmonic properties of nanohybrids made of metallic nanoring and benzene molecules.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26646

By:

Mokkath, Junais Habeeb

Publication type:

Article

Information and thermodynamic properties of a non‐Hermitian particle ensemble.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26645

By:

Lima, Francisco Cleiton E.;
Moreira, Allan R. P.;
Almeida, Carlos Alberto S.

Publication type:

Article

The change in the nature of bonding in the Li2 dimer under confinement.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26644

By:

Robles‐Navarro, Andrés;
Rodriguez‐Bautista, Mariano;
Fuentealba, Patricio;
Cárdenas, Carlos

Publication type:

Article

Bandgaps in free‐standing monolayer TiO2: Ab initio diffusion quantum Monte Carlo study.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26643

By:

Huang, Xia;
Zhang, Hong;
Cheng, Xin‐Lu

Publication type:

Article

Size and shape effects on the stability, electronic structure, and Raman spectroscopy of (SrO)n nanoclusters.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26642

By:

Filho, Luciano F.;
Pansini, Fernando N. N.;
Souza, Fábio A. L.

Publication type:

Article

Benchmark density functional theory calculations of 13C NMR chemical shifts of the natural antimalarial compounds with a new basis set 3z‐S.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26639

By:

Semenov, Valentin A.;
Krivdin, Leonid B.

Publication type:

Article

Reply to the comment on "Fisher information of a vector potential for time‐dependent Feinberg–Horodecki".

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26632

By:

Onate, Clement A.;
Onyeaju, Michael C.

Publication type:

Article

Comment on "Fisher information of a vector potential for time‐dependent Feinberg–Horodecki equation".

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26629

By:

P. G. Nascimento, João;
Aguiar, Vanderley;
Costa Filho, Raimundo N.;
Pereira Jr, João Milton

Publication type:

Article

Tuning the electronic and magnetic properties of CoZrxNb1−xFeSi alloys for spintronic and thermoelectric applications.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26628

By:

Tariq, Saad;
Mubarak, Ahmad A.;
Hamioud, Farida

Publication type:

Article

Cover Image, Volume 121, Issue 12.

Published in:: International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26302
Publication type:: Article

Issue Information.

Published in:: International Journal of Quantum Chemistry, 2021, v. 121, n. 12, p. 1, doi. 10.1002/qua.26301
Publication type:: Article

Works matching IS 00207608 AND DT 2021 AND VI 121 AND IP 12

Prediction of a new quaternary Heusler alloy within a good electrical response at high temperature for spintronics applications: DFT calculations.

Plasmonic properties of nanohybrids made of metallic nanoring and benzene molecules.

Information and thermodynamic properties of a non‐Hermitian particle ensemble.

The change in the nature of bonding in the Li<sub>2</sub> dimer under confinement.

Bandgaps in free‐standing monolayer TiO<sub>2</sub>: Ab initio diffusion quantum Monte Carlo study.

Size and shape effects on the stability, electronic structure, and Raman spectroscopy of (SrO)<sub>n</sub> nanoclusters.

Benchmark density functional theory calculations of <sup>13</sup>C NMR chemical shifts of the natural antimalarial compounds with a new basis set 3z‐S.

Reply to the comment on "Fisher information of a vector potential for time‐dependent Feinberg–Horodecki".

Comment on "Fisher information of a vector potential for time‐dependent Feinberg–Horodecki equation".

Tuning the electronic and magnetic properties of CoZr<sub>x</sub>Nb<sub>1−x</sub>FeSi alloys for spintronic and thermoelectric applications.

Cover Image, Volume 121, Issue 12.

Issue Information.