Results 1 to 10 of about 49,182 (344)

Momentum distribution of NbO [PDF]

Acta Crystallographica Section A Foundations of Crystallography, 1984
Y. Kubo, S. Wakoh, K. Schwarz
openaire   +4 more sources

Is There NbO in S-Type Stars? [PDF]

Publications of the Astronomical Society of the Pacific, 1969
P. C. Keenan, D. N. Davis
openaire   +3 more sources

Normobaric Hyperoxia Therapy in Treating Stroke [PDF]

Clinical Interventions in Aging
Yanli Duan,1,* Xiangyu Li,2,* Song Han,1 Jingwei Guan,1 Zhiying Chen,3 Weili Li,4 Ran Meng,5 Jiayue Ding1 1Department of Neurology, Tianjin Medical University General Hospital, Tianjin, People’s Republic of China; 2Department of Neurology,
Duan Y, Li X, Han S, Guan J, Chen Z, Li W, Meng R, Ding J   +7 more
doaj   +2 more sources

New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry [PDF]

Journal of the Serbian Chemical Society, 2022
Only one (trans(O5)-Na[Rh(ED3AP)]∙3H2O) of possible two isomers was synthesized and characterized by single crystal X-ray analysis, IR and UV–Vis spectroscopy.
Radovanović Marko D., Ristić Marija S., Zlatar Matija, Heinemann Frank W., Matović Zoran D.   +4 more
doaj   +1 more source

DFT Study and NBO Analysis of Conformation Properties of 2,5,5-Trimethyl-1,3,2-Dioxaphosphinane 2-Selenide and Their Dithia and Diselena Analogous [PDF]

Journal of Sciences, Islamic Republic of Iran, 2020
The hybrid density functional theory (B3LYP) and ab initio molecular orbital (HF) based methods and Natural Bond Orbital (NBO) interpretation were used to analyze the conformational behaviors of 2,5,5-trimethyl-1,3,2-dioxaphosphinane 2-selenide (compound
Nasrin Masnabadi
doaj   +1 more source

Dependence of kHz QPO Properties on Normal-Branch Oscillation Phase in Scorpius X-1 [PDF]

, 2001
We analysed RXTE data of Sco X-1 which show kHz quasi-periodic oscillations (QPOs) and the $\sim$6--8 Hz normal-branch oscillation (NBO) simultaneously.
Alpar M. A., Hasinger G., Michiel van der Klis, Peter G. Jonker, Wenfei Yu   +4 more
core   +10 more sources

Effectiveness of The Newborn Behavioral Observation (NBO) System in Improving Mother and Infant Interaction

Folia Medica Indonesiana, 2021
The interaction of mother and infant is a fundamental basis for the development of the infant. It can also determine the success of the baby in the future. About 4 out of 10 infants experience problems interacting with their parents.
Siti Wahyu Windarti, Ahmad Suryawan
doaj   +1 more source

Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP Analysis, and Solar Cell Applications

Journal of Fluorescence, 2022
Due to numerous pharmaceutical and biological activities hydrazone (TC) based materials, it was important to investigate quantum chemical studies such as Density functional theory (DFT) calculations, natural bond orbital (NBO) analysis, molecular ...
Mahmoud A. S. Sakr, Farag F. Sherbiny, A. A. El-Etrawy   +2 more
semanticscholar   +1 more source

DFT study and NBO analysis of solvation/substituent effects of 3-phenylbenzo[d]thiazole-2(3H)-imine derivatives [PDF]

Journal of the Serbian Chemical Society, 2020
In this work, to determine natural bond orbital (NBO) analysis, solvation and substituent effects for electron-releasing substituents (CH3, OH) and electron-withdrawing derivatives (Cl, NO2, CF3) in para positions on the molecular structure of the ...
Miar Marzieh, Shiroudi Abolfazl, Pourshamsian Khalil, Oliaey Ahmad Reza, Hatamjafari Farhad   +4 more
doaj   +1 more source

Investigation of Chemical Properties in Fullerene Derivatives of Atenolol Drug: A DFT Study [PDF]

International Journal of New Chemistry, 2015
In this study, the drug atenolol on C60 fullerene were the drug and its derivatives were optimized fullerene. NBO and NMR for complex computations required in the HF/6-31G (d) and B3LYP/6-31G (d) quantum chemistry method was used.
Nastaran Maddah Zadeh Darini, Roya Ahmadi   +1 more
doaj   +1 more source