Results 11 to 20 of about 334,510 (171)
Quantum mechanical study of electronic properties of zigzag nanotubes (9,0) (SWCNTs)
Iraqi Journal of Physics, 2019 Quantum calculations on the most stable structure were carried out for calculating the electronic properties, energies and the charge density at the Carbon and Hydrogen atoms by Semi-empirical method (PM3) of zigzag carbon nano tube CNT (9,0) (SWCNTs ...
Huda N. AL-Ani
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QUANTUM MECHANICAL CALCULATIONS OF IR SPECTRA; REACTION ENERGIES OF C-O (R-O) THERMAL BOND RUPTURE FOR CEFUROXIME PRODRUGS [PDF]
مجلة جامعة الانبار للعلوم الصرفة, 2013 PM3 calculations were carried out for the estimation vibration frequencies, IR absorption intensities, normal coordinates and some physical properties as heat of formation, dipole moment, and ΔEHOMO-LUMO ---etc.
REHAB MAJED KUBBA +1 more
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Utilization of Molecular Simulation Software Gaussian 03 to Design Absorbent for CO2 Capture
Procedia Engineering, 2011 AbstractA preliminary study on the interaction between molecules of absorbent for CO2 absorption was undertaken using Gaussian 03 molecular simulation software. The results indicate that the molecular interaction energy has strong correlations with Henry's constant.
Tang, ZhiGang, Gui, Xia, Fei, Weiyang
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Comparing the Online Learning Capabilities of Gaussian ARTMAP and Fuzzy ARTMAP for Building Energy Management Systems [PDF]
, 2013 Recently, there has been a growing interest in the application of Fuzzy ARTMAP for use in building energy management systems or EMS. However, a number of papers have indicated that there are important weaknesses to the Fuzzy ARTMAP approach, such as ...
Howe, Joseph Mark, Mokhtar, Maizura
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Oriental Journal Of Chemistry, 2012 The vibrational wavenumbers and corresponding vibrational assignments of 2,2'-Ethylene bis(nitrilomethylidene) diphenol are examined theoretically using the Gaussian03 set of quantum chemistry codes. Comparison of the observed IR spectra with the calculated results by HartreeFock and B 3 lyp method is found in agreement with the experimental data ...
Javad Azizian +3 more
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The MUSE-Wide Survey: Survey Description and First Data Release [PDF]
, 2019 We present the MUSE-Wide survey, a blind, 3D spectroscopic survey in the CANDELS/GOODS-S and CANDELS/COSMOS regions. Each MUSE-Wide pointing has a depth of 1 hour and hence targets more extreme and more luminous objects over 10 times the area of the MUSE-
Bacon, R. +19 more
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Rapid learning of visual ensembles [PDF]
, 2017 open3siWe recently demonstrated that observers are capable of encoding not only summary statistics, such as mean and variance of stimulus ensembles, but also the shape of the ensembles.
Campana, Gianluca +2 more
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Intricate visibility effects from resolved emission of young stellar objects: the case of MWC158 observed with the VLTI [PDF]
, 2012 In the course of our VLTI young stellar object PIONIER imaging program, we have identified a strong visibility chromatic dependency that appeared in certain sources.
Benisty, Myriam +9 more
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First Results from the rapid-response spectrophotometric characterization of Near-Earth Objects [PDF]
, 2019 As part of our multi-observatory, multi-filter campaign, we present \rmi color observations of 82 Near-Earth Objects (NEOs) obtained with the RATIR instrument on the 1.5m robotic telescope at the San Pedro Martir's National Observatory in Mexico.
Axelrod, Tim +8 more
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Journal of Taibah University for Science, 2022 Obesity is a global public health concern brought on by a combination of excessive dietary intake, inactivity and genetic predisposition. Pyridopyrimidines have received considerable interest in the development of obesity and diabetes.
Ferid Yaccoubi +7 more
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