Results 311 to 320 of about 51,216 (341)

Electronic structure investigation of the stability, reactivity, NBO analysis, thermodynamics, and the nature of the interactions in methyl-substituted imidazolium-based ionic liquids

, 2021
J. A. Agwupuye, H. Louis, T. Unimuke, P. David, Emmanuel I. Ubana, Yusuff L. Moshood   +5 more
semanticscholar   +1 more source

???????????????????????? ?????????????????????????????? ?????????????????????????????????? ???????????????? ???? ???????????? (K, Na)NbO???

2015
?????????????????????? ?????????????? ?????????????? ?????????????? ?? ???????????????? ???? ???????????????????????????? ?? ?????????????????????????????????? ???????????????? ???????????????????????? ?????????????????????????? ???? ???????????? ???????????????? ???????????????? ?????????????? ????????????????????????? ?????????????? (K???,???Na???,???
openaire   +1 more source

Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses

Journal of Molecular Modeling, 2020
F. Akman, Noureddine ISSAOUI, A. S. Kazachenko   +2 more
semanticscholar   +1 more source

Blast Visualization Using NBOS

2023 IEEE Research and Applications of Photonics in Defense Conference (RAPID), 2023
openaire   +1 more source

The adsorption of chlorofluoromethane on pristine, and Al- and Ga-doped boron nitride nanosheets: a DFT, NBO, and QTAIM study

Journal of Molecular Modeling, 2020
M. Doust Mohammadi, H. Abdullah
semanticscholar   +1 more source

Neutron radiation damage in NbO microcrystals

Book of Abstracts, 2022
Svetlana Rempel, Albina Valeeva
openaire   +1 more source

Feasibility of pristine, Al-doped and Ga-doped Boron Nitride nanotubes for detecting SF4 gas: A DFT, NBO and QTAIM investigation

, 2020
Ebrahim Nemati‐Kande, Ramin Karimian, V. Goodarzi, E. Ghazizadeh   +3 more
semanticscholar   +1 more source

A comparative study based on molecular structure, spectroscopic, electronic, thermodynamic and NBO analysis of some nitrogen-containing monomers

Polymer Bulletin, 2020
F. Akman
semanticscholar   +1 more source

Vibrational spectroscopic, NBO, AIM, and multiwfn study of tectorigenin: A DFT approach

, 2020
S. Shukla, A. Srivastava, P. Kumar, P. Tandon, R. Maurya, Ruchi Singh   +5 more
semanticscholar   +1 more source

NbO

2006
P. Villars, K. Cenzual, J. Daams, R. Gladyshevskii, O. Shcherban, V. Dubenskyy, N. Melnichenko-Koblyuk, O. Pavlyuk, S. Stoiko, L. Sysa   +9 more
openaire   +1 more source