Works matching IS 00207608 AND DT 2014 AND VI 114 AND IP 21

Results: 11

Computational study of the reaction of the methylsulfonyl radical, CH3S(O)2, with NO2.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 21, p. 1430, doi. 10.1002/qua.24700

By:

Salta, Zoi;
Kosmas, Agnie M.

Publication type:

Article

Hydrogen storage in porous structures of adamantane-based nitrogen-heterocyclic ring with diamond-like structure.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 21, p. 1438, doi. 10.1002/qua.24704

By:

Gao, Teng ‐ Fei;
Zhang, Hong

Publication type:

Article

Density functional and multiconfigurational ab initio study of the ground and excited states of Os2.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 21, p. 1466, doi. 10.1002/qua.24715

By:

Kim, Joonghan;
Kim, Jeongho

Publication type:

Article

Comparative theoretical synthesis of high-energy density materials 2,4,6-trinitro-1,3,5-triazine.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 21, p. 1457, doi. 10.1002/qua.24714

By:

Cheng, Ken ‐ Fa;
Liu, Min ‐ Hsien;
Ho, Pang ‐ Hsing

Publication type:

Article

Inside Cover, Volume 114, Issue 21.

Published in:: 2014
Publication type:: Other

Best molecular multiple quantum bit for the diatomic molecular quantum computer using potassium nitride and calcium nitride through vibrational progression.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 21, p. 1486, doi. 10.1002/qua.24736

By:

Ishii, Keisaku

Publication type:

Article

Density functionals in the presence of magnetic field.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 21, p. 1445, doi. 10.1002/qua.24707

By:

Laestadius, Andre

Publication type:

Article

Chemical reactivity through structure-stability landscape.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 21, p. 1421, doi. 10.1002/qua.24706

By:

Das, Ranjita;
Vigneresse, Jean ‐ Louis;
Chattaraj, Pratim Kumar

Publication type:

Article

Cover Image, Volume 114, Issue 21.

Published in:: 2014
Publication type:: Other

Multiscale theory and simulation of plasmon-enhanced molecular optical processes.

Published in:

2014

By:

Masiello, David J.

Publication type:

Other

What are the spectroscopic properties of HFC-32? Answers from DFT.

Published in:

International Journal of Quantum Chemistry, 2014, v. 114, n. 21, p. 1472, doi. 10.1002/qua.24716

By:

Tasinato, Nicola

Publication type:

Article

Works matching IS 00207608 AND DT 2014 AND VI 114 AND IP 21

Computational study of the reaction of the methylsulfonyl radical, CH<sub>3</sub>S(O)<sub>2</sub>, with NO<sub>2</sub>.

Hydrogen storage in porous structures of adamantane-based nitrogen-heterocyclic ring with diamond-like structure.

Density functional and multiconfigurational ab initio study of the ground and excited states of Os<sub>2</sub>.

Comparative theoretical synthesis of high-energy density materials 2,4,6-trinitro-1,3,5-triazine.

Inside Cover, Volume 114, Issue 21.

Best molecular multiple quantum bit for the diatomic molecular quantum computer using potassium nitride and calcium nitride through vibrational progression.

Density functionals in the presence of magnetic field.

Chemical reactivity through structure-stability landscape.

Cover Image, Volume 114, Issue 21.

Multiscale theory and simulation of plasmon-enhanced molecular optical processes.

What are the spectroscopic properties of HFC-32? Answers from DFT.