Results 321 to 330 of about 51,216 (341)

Mechanical properties, oxygen barrier property, and chemical stability of RE 3 NbO 7 for thermal barrier coating

, 2020
Jun Yang, W. Pan, Yi Han, Mengqiang Zhao, Muzhang Huang, C. Wan   +5 more
semanticscholar   +1 more source

NBO technique as a descriptor of aromaticity

Computational and Theoretical Chemistry, 2022
Osman I. Osman Abdelkarim, Abdullah M. Asiri   +1 more
openaire   +1 more source

A DFT, AIM and NBO study of isoniazid drug delivery by MgO nanocage

Applications of Surface Science, 2019
Isa Ravaei, M. Haghighat, S. Azami
semanticscholar   +1 more source

What is NBO analysis and how is it useful?

, 2016
F. Weinhold, C. Landis, E. Glendening
semanticscholar   +1 more source

Spectroscopic behavior, FMO, NLO and NBO analysis of two novel aryl boronic acid derivatives: Experimental and theoretical insights

Journal of Molecular Structure, 2019
Kalpana Sharma, R. Melavanki, S. Patil, R. Kusanur, N. R. Patil, V. M. Shelar   +5 more
semanticscholar   +1 more source

Electrocaloric effect and pyroelectric performance in (K,Na)NbO 3 ‐based lead‐free ceramics

Journal of The American Ceramic Society, 2019
Jun-lin Yang, Xihong Hao
semanticscholar   +1 more source

NbO 2 Electrocatalyst Toward 32% Faradaic Efficiency for N 2 Fixation

Small Methods, 2018
Linsong Huang, Jiawen Wu, Peng Han, A. Al-Enizi, T. M. Almutairi, Lijuan Zhang, Gengfeng Zheng   +6 more
semanticscholar   +1 more source

Potential thermal barrier coating materials: RE 3 NbO 7 ( RE =La, Nd, Sm, Eu, Gd, Dy) ceramics

Journal of The American Ceramic Society, 2018
Lin Chen, Peng Wu, P. Song, Jing Feng
semanticscholar   +1 more source

Intermolecular interaction in nucleobases and dimethyl sulfoxide/water molecules: A DFT, NBO, AIM and NCI analysis.

Journal of Molecular Graphics and Modelling, 2017
N. Venkataramanan, A. Suvitha, Y. Kawazoe   +2 more
semanticscholar   +1 more source

Spectroscopic investigation, vibrational assignments, HOMO-LUMO, NBO, MEP analysis and molecular docking studies of oxoaporphine alkaloid liriodenine.

Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, 2017
R. Costa, Priscilla Olliveira Pitt, M. Pinheiro, K. Oliveira, K. Salome, A. Barison, E. Costa   +6 more
semanticscholar   +1 more source