Experimental and computational performances of heat exchangers functioning in wet regime by using the film method

Performance of Ex Situ Bismuth Film Rota

Performance of Ex Situ Bismuth Film Rotating Disk Electrode in Trace Metal Analysis by Stripping Chronopotentiometry: Definition of the Depletion Regime and Optimization of Experimental Parameters

✍ Luciana S. Rocha; E. Pereira; A. C. Duarte; José Paulo Pinheiro 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 335 KB

Influence of Molecular Geometry, Exchang

Influence of Molecular Geometry, Exchange-Correlation Functional, and Solvent Effects in the Modeling of Vertical Excitation Energies in Phthalocyanines Using Time-Dependent Density Functional Theory (TDDFT) and Polarized Continuum Model TDDFT Methods: Can Modern Computational Chemistry Methods Explain Experimental Controversies?

✍ Nemykin, Victor N.; Hadt, Ryan G.; Belosludov, Rodion V.; Mizuseki, Hiroshi; Kaw 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 627 KB

Influence of Molecular Geometry, Exchang

Influence of Molecular Geometry, Exchange-Correlation Functional, and Solvent Effects in the Modeling of Vertical Excitation Energies in Phthalocyanines Using Time-Dependent Density Functional Theory (TDDFT) and Polarized Continuum Model TDDFT Methods: Can Modern Computational Chemistry Methods Explain Experimental Controversies?

✍ Nemykin, Victor N.; Hadt, Ryan G.; Belosludov, Rodion V.; Mizuseki, Hiroshi; Kaw 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 627 KB

A time-dependent density functional theory (TDDFT) approach coupled with 14 different exchange-correlation functionals was used for the prediction of vertical excitation energies in zinc phthalocyanine (PcZn). In general, the TDDFT approach provides a more accurate description of both visible and ul

Assessment of Experimental Bond Dissocia

Assessment of Experimental Bond Dissociation Energies Using Composite ab Initio Methods and Evaluation of the Performances of Density Functional Methods in the Calculation of Bond Dissociation Energies

✍ Feng, Y.; Liu, L.; Wang, J.-T.; Huang, H.; Guo, Q.-X. 📂 Article 📅 2003 🏛 American Chemical Society 🌐 English ⚖ 113 KB

Understanding Organometallic Reaction Me

Understanding Organometallic Reaction Mechanisms and Catalysis (Computational and Experimental Tools) || Combined Use of Both Experimental and Theoretical Methods in the Exploration of Reaction Mechanisms in Catalysis by Transition Metals

✍ Ananikov, Valentine P. 📂 Article 📅 2014 🏛 Wiley-VCH Verlag GmbH & Co. KGaA 🌐 German ⚖ 481 KB

599 Fibrosis assessment in hepatitis C b

599 Fibrosis assessment in hepatitis C by computer-performed optical analysis of CT of the liver: A novel non-invasive and useful method

📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 256 KB