Works matching IS 00207608 AND DT 2021 AND VI 121 AND IP 17

Results: 10

Molecular design of long intra‐annular nitrogen chains: 3H‐tetrazolo[1,5‐d]tetrazole‐based high‐energy‐density materials.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 17, p. 1, doi. 10.1002/qua.26743

By:

Zhao, Xiuxiu;
Zhang, Yingchao;
Xie, Congxia;
Tan, Long

Publication type:

Article

Computational investigation and screening of high‐energy‐density materials: Based on nitrogen‐rich 1,2,4,5‐tetrazine energetic derivatives.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 17, p. 1, doi. 10.1002/qua.26742

By:

Zeng, Lian;
Jiang, Yuhe;
Wu, Jinting;
Li, Hongbo;
Zhang, Jianguo

Publication type:

Article

Growth, crystal structure, thermal, spectral studies and density functional theory computational analysis of an organic nonlinear optical crystal: 2‐{3‐[2‐(4‐dimethylaminophenyl)vinyl]‐5,5‐dimethylcyclohex‐2‐enylidene}‐malonitrile

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 17, p. 1, doi. 10.1002/qua.26741

By:

Boomadevi, Shanmugam;
Ramachandran, Mohanraj;
Balamurugan, Karuppannan;
Nayak, Dipali;
Thangavel, Rajalingam;
Pandiyan, Krishnamoorthy;
Anandan, Sambandam;
Sastikumar, Dilibabu

Publication type:

Article

The expected values of Sombor indices in random hexagonal chains, phenylene chains and Sombor indices of some chemical graphs.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 17, p. 1, doi. 10.1002/qua.26740

By:

Fang, Xiaona;
You, Lihua;
Liu, Hechao

Publication type:

Article

Regio and stereochemical probes of iodine interactions in diiodocyclododecanes.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 17, p. 1, doi. 10.1002/qua.26739

By:

Martins, Francisco A.;
Freitas, Matheus P.

Publication type:

Article

Resonance study: Effect of partial triples excitation using complex absorbing potential‐based Fock‐space multi‐reference coupled cluster.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 17, p. 1, doi. 10.1002/qua.26738

By:

Jana, Irina;
Basumallick, Suhita;
Pal, Sourav;
Vaval, Nayana

Publication type:

Article

Spatial distribution of atomic electronic density for elements 1–54 as coming from a Hartree–Fock treatment within the minimum atomic parameters paradigm.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 17, p. 1, doi. 10.1002/qua.26690

By:

Reinhardt, Peter;
Popov, Ilya;
Tchougréeff, Andrei L.

Publication type:

Article

More on Sombor indices of chemical graphs and their applications to the boiling point of benzenoid hydrocarbons.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 17, p. 1, doi. 10.1002/qua.26689

By:

Liu, Hechao;
Chen, Hanlin;
Xiao, Qiqi;
Fang, Xiaona;
Tang, Zikai

Publication type:

Article

Cover Image, Volume 121, Issue 17.

Published in:: International Journal of Quantum Chemistry, 2021, v. 121, n. 17, p. 1, doi. 10.1002/qua.26312
Publication type:: Article

Issue Information.

Published in:: International Journal of Quantum Chemistry, 2021, v. 121, n. 17, p. 1, doi. 10.1002/qua.26311
Publication type:: Article