Results 11 to 20 of about 371,806 (272)
Synthesis of a Diamino Substituted Terphenyldivinyl Chromophore
Molecules, 2009 (E,E)-1,4-bis(4'-aminostyryl)-2,5-bis(octyloxy)-benzene (6) and its derivative (E,E)-1,4-bis(4'-acetamidostyryl)-2,5-bis(octyloxy)-benzene (7) were synthesized and characterized after alkylation, bromomethylation, Horner-Emmons reaction and reduction ...
Jun-Ru Wang +3 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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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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Testing the Gaussian Copula Hypothesis for Financial Assets Dependences [PDF]
, 2001 Using one of the key property of copulas that they remain invariant under an arbitrary monotonous change of variable, we investigate the null hypothesis that the dependence between financial assets can be modeled by the Gaussian copula. We find that most
Baig T +13 more
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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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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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Use of the q-Gaussian mutation in evolutionary algorithms [PDF]
, 2010 Copyright @ Springer-Verlag 2010.This paper proposes the use of the q-Gaussian mutation with self-adaptation of the shape of the mutation distribution in evolutionary algorithms.
A Obuchowicz +28 more
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Task-Driven Adaptive Statistical Compressive Sensing of Gaussian Mixture Models [PDF]
, 2012 A framework for adaptive and non-adaptive statistical compressive sensing is developed, where a statistical model replaces the standard sparsity model of classical compressive sensing.
Carin, Lawrence +3 more
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Performance study of multi-fidelity gradient enhanced kriging [PDF]
, 2014 Multi-fidelity surrogate modelling offers an efficient way to approximate computationally expensive simulations. In particular, Kriging-based surrogate models are popular for approximating deterministic data.
Couckuyt, Ivo +4 more
core +2 more sources