Results 21 to 30 of about 16,319 (283)

Electroforming-free threshold switching of NbO(x)–based selector devices by controlling conducting phases in the NbO(x) layer for the application to crossbar array architectures

, 2022
Bipolar threshold switching characteristics, featuring volatile transition between the high-resistance state (HRS) at lower voltage than threshold voltage (V(th)) and the low-resistance state (LRS) at higher voltage irrespective of the voltage polarity ...
Sahu, Dwipak Prasad, Kim, Hyun-Mi, Ryu, Jiyeon, Yoon, Tae-Sik, Park, Kitae   +4 more
core   +1 more source

Biological, Electronic, NLO, NBO, TDDFT and Vibrational Analysis of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide [PDF]

Iranian Journal of Chemistry & Chemical Engineering, 2020
Biological Electronic, Optical Properties, and Vibrational Analysis of 1-benzyl-4-formyl-1H-pyrrole 3carboxamide are studied by using a combination of DFT/B3LYP method and 6-311G (d, p) basis set.
Anoop Kumar Pandey, Vijay Narayan Mishra, Vijay Singh   +2 more
doaj   +1 more source

Activation Energy and NBO Interaction Approaches to Torquoselectivity and its Dependence on the Conformational Profile of the Substituent [PDF]

, 2021
The torquoselectivity of ring opening of 3-fluoromethylcyclobutenes, 2-fluoromethyl-3-oxetenes and perfluoro-3-methyl-cyclobutene have been studied at the MP2/cc-pVTZ level of theory and the results analysed by using the activation energy approach and ...
Veejendra, Yadav
core   +2 more sources

مطالعه کوانتومی، ترمودینامیکی،AIMو NBO برهم کنش مولکول نیترامید با AlNNTs خالص و جایگزین شده با B,As,B&As [PDF]

International Journal of New Chemistry, 2019
چکیدهدر این کار با استفاده از نظریه تابع چگالی جذب مولکول نیترامید بر روی سطح نانو لوله آرمچیر (4و4) آلومینیم نیترید خالص و جایگزین شده با B، As و B&As مورد بررسی قرار گرفته است.
Mahdi Rezaei Sameti, Sedigheh Azadi doureh   +1 more
doaj   +1 more source

Theoretical Study on the Conformational Equilibrium of 1’, 2' and 3'-Nitro-4-hydroxy-3-methoxy Chalcone Isomers

Orbital: The Electronic Journal of Chemistry, 2021
This paper presents the conformational analysis of three chalcone compounds, 1'-nitro-4-hydroxy-3-metoxychalcoea (o-CHAL), 2'-nitro-4-hydroxy-3-metoxychalcone (m-CHAL) and 3'-nitro-4-hydroxiy3-metoxychalcone (p-CHAL).
Hualace Vinicius Emiliano, Thiago de Castro Rozada, Raphaela Pereira Guaringue, Barbara Celânia Fiorin   +3 more
doaj   +1 more source

The nature of multiple boron-nitrogen bonds studied using electron localization function (ELF), electron density (AIM), and natural bond orbital (NBO) methods [PDF]

, 2020
Local nature of the boron-nitrogen (BN) bonding with different formal multiplicities (B≡N, B=N, B-N) have been investigated for 25 experimentally established organoboron molecules in both real and the Hilbert space, using topological analysis of electron
Mierzwa, G., Berski, S., Gordon, A.J.
core   +1 more source

Structure of Imidazolium-N-phthalolylglycinate Salt Hydrate: Combined Experimental and Quantum Chemical Calculations Studies

Crystals, 2020
An organic supramolecular salt hydrate (imidazolium:N-phthalolylglycinate:H2O; IM+-NPG−-HYD) has been examined for its charge-transfer (CT) characteristics. Accordingly, IM+−NPG−−HYD has been characterized thoroughly using various
Mohammad Usman, Rais Ahmad Khan, Mohammad H. Jaafar, Ali Alsalme, Sartaj Tabassum   +4 more
doaj   +1 more source

The Effect of Substitution and Polymerization of 2,7-Divinylcarbazole-benzo-bis-thiadiazole on Optoelectronic Properties: A DFT Study

Orbital: The Electronic Journal of Chemistry, 2021
In this work, we present the study of the conjugated copolymers 2,7-divinylcabazole and benzo-bis-thiadiazole, by the DFT method using the base B3LYP/6-31G (d, p).
Mohamed Jabha, Abdellah El Alaoui, Abdellah Jarid, El Houssine Mabrouk   +3 more
doaj   +1 more source

Metastability of NbN in the ordered vacancy NbO phase [PDF]

Physical Review B, 1995
REVTeX, 11 pages, 4 Postscript ...
Ethridge, E. C., Erwin, S. C., Pickett, W. E.   +2 more
openaire   +3 more sources

Nonbacterial and bacterial osteomyelitis in children: a case–control retrospective study

Frontiers in Pediatrics, 2023
PurposeOsteomyelitis is a group of bone infectious (bacterial osteomyeilitis—BO) and noninfectious inflammatory diseases (nonbacterial osteomyelitis—NBO) with similar clinical, radiology, and laboratory features.
Mikhail M. Kostik, Alexey S. Maletin, Veronika V. Petukhova, Veronika V. Petukhova, Alexander Yu. Mushkin, Alexander Yu. Mushkin   +5 more
doaj   +1 more source