Works matching IS 00207608 AND DT 2021 AND VI 121 AND IP 13

Results: 12

Energy states, oscillator strengths and polarizabilities of many electron atoms confined by an impenetrable spherical cavity.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26658

By:

Yakar, Yusuf;
Çakır, Bekir;
Demir, Celalettin;
Özmen, Ayhan

Publication type:

Article

The catalytic effects of H2O, basic and acidic catalysts on the gas‐phase hydrolysis mechanism of carbonyl fluoride (CF2O).

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26657

By:

Lu, Yousong;
Zhang, Tianlei;
Lily, Makroni;
Wang, Weina;
Liu, Fengyi;
Wang, Wenliang

Publication type:

Article

Theoretical investigation of novel half Heusler compounds MRhSb (M = Nb & Ta): For optoelectronic and thermoelectric applications.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26656

By:

Hamli, Meryem;
Bensaid, Djillali;
Benkada, Amel;
Bouzouira, Nour eddine;
Bencherif, Kadour;
Benzoudji, Fathi

Publication type:

Article

Plasmon's Fizeau‐dragging effect at the interface of atomic and nano‐composites media.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26655

By:

Khan, Gohar Zeb;
Ashraf, Imrana;
Ullah, Arif;
Bacha, Bakht Amin

Publication type:

Article

High‐precision calculation of relativistic corrections for hydrogen‐like atoms with screened Coulomb potentials.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26653

By:

Xie, Hui Hui;
Jiao, Li Guang;
Liu, Aihua;
Ho, Yew Kam

Publication type:

Article

Issue Information.

Published in:: International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26303
Publication type:: Article

Computationally unraveling the mechanism and selectivity of five and six membered N‐heterocyclic carbene‐catalyzed alkyne hydrochalcogenation.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26652

By:

Jayasree, Elambalassery G.;
Reshma, Sobhana;
Aswathy, Mohanan

Publication type:

Article

Stability of the helium atom embedded in classical nonideal plasmas.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26649

By:

Das, Biswajit;
Ghoshal, Arijit

Publication type:

Article

Density functional theory calculations on the adsorption and degradation characteristics of ronidazole on the TiO2 surface.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26648

By:

Chen, Yang;
Xu, Donghui;
Zhang, Shuang;
Tan, Ruolan;
Li, Laicai;
Liu, Xiang‐Yang

Publication type:

Article

Corrigendum to: "On the calculation of arbitrary multielectron molecular integrals over Slater‐Type orbitals using recurrence relations for overlap integrals I. Single‐Center expansion method" [Int. J. Quant. Chem., 78 (2000) 146–152].

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26640

By:

Guseinov, I. I.;
Mamedov, B. A.

Publication type:

Article

Cover Image, Volume 121, Issue 13.

Published in:: International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26304
Publication type:: Article

Atmospheric oxidation of 4‐(2‐methoxyethyl) phenol initiated by OH radical in the presence of O2 and NOx: A mechanistic and kinetic study.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 13, p. 1, doi. 10.1002/qua.26650

By:

Yao, Junfang;
Sun, Yanan;
Tang, Yizhen;
Zhang, Yunju;
Wu, Wenzhong;
Sun, Jingyu

Publication type:

Article

Works matching IS 00207608 AND DT 2021 AND VI 121 AND IP 13

Energy states, oscillator strengths and polarizabilities of many electron atoms confined by an impenetrable spherical cavity.

The catalytic effects of H<sub>2</sub>O, basic and acidic catalysts on the gas‐phase hydrolysis mechanism of carbonyl fluoride (CF<sub>2</sub>O).

Theoretical investigation of novel half Heusler compounds MRhSb (M = Nb & Ta): For optoelectronic and thermoelectric applications.

Plasmon's Fizeau‐dragging effect at the interface of atomic and nano‐composites media.

High‐precision calculation of relativistic corrections for hydrogen‐like atoms with screened Coulomb potentials.

Issue Information.

Computationally unraveling the mechanism and selectivity of five and six membered N‐heterocyclic carbene‐catalyzed alkyne hydrochalcogenation.

Stability of the helium atom embedded in classical nonideal plasmas.

Density functional theory calculations on the adsorption and degradation characteristics of ronidazole on the TiO<sub>2</sub> surface.

Corrigendum to: "On the calculation of arbitrary multielectron molecular integrals over Slater‐Type orbitals using recurrence relations for overlap integrals I. Single‐Center expansion method" [Int. J. Quant. Chem., 78 (2000) 146–152].

Cover Image, Volume 121, Issue 13.

Atmospheric oxidation of 4‐(2‐methoxyethyl) phenol initiated by OH radical in the presence of O<sub>2</sub> and NO<sub>x</sub>: A mechanistic and kinetic study.