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Normal coordinates analysis for the M(NH3)42+ complex ions in D4h and Td symmetries. Simplified molecular models
(1986)
A normal coordinates analysis for the M(NH3)42+ complex ions iN Td symmetry (M = Zn, Cd, Co) and in D4h symmetry (M = Cu, Pd, Pt) has been undertaken on the basis of a General Valence Force Field (GVFF), using simplified ...
Normal coordinates analysis of the hexamminochromium (III) ion. a simplified m(NX)6 model
(1983)
A normal coordinates analysis for the hexamminochro mium (III) ion, in octahedral symmetry has been underta ken. A simplified M(NX) model has been adopted, since many of the gerade vibrational frequencies are still un ...
Methodological approach for the development of a simplified residential building energy estimation in temperate climate
(Molecular Diversity Preservation International, 2019-08)
Energy ratings and minimum requirements for thermal envelopes and heating and air conditioning systems emerged as tools to minimize energy consumption and greenhouse gas emissions, improve energy efficiency and promote ...
Coarse-Grained Simulations of Protein Folding: Bridging Theory and Experiments
(2022-01-01)
Computational coarse-grained models play a fundamental role as a research tool in protein folding, and they are important in bridging theory and experiments. Folding mechanisms are generally discussed using the energy ...
Optimization of molecular distillation to concentrate ethyl esters of eicosapentaenoic (20:5 ω-3) and docosahexaenoic acids (22:6 ω-3) using simplified phenomenological modeling
(John Wiley & Sons Ltd, 2011-06)
Squid oil contains high concentration of eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA). The purpose of this work was to optimize the process of separation by molecular distillation of ω-3 fatty acid ethyl ...
The protective effect of Artepillin C against lipid oxidation on simplified model membranes
(Elsevier, 2021-02-15)
Brazilian green propolis is a well-known therapeutic product, commonly used in folk medicine. Artepillin C is the major compound of propolis and has received considerable attention owing to its lipophilic affinity and ...
Prediction of the full molecular weight distribution in RAFT polymerization using probability generating functions
(Elsevier, 2014-07)
In this work, a model for the RAFT polymerization following the slow fragmentation approach was developed in order to obtain the full molecular weight distribution (MWD) using probability generating functions (pgf). A ...
Modeling of the bivariate molecular weight distribution-copolymer composition distribution in RAFT copolymerization using probability generating functions
(Elsevier Science, 2017-08)
In this work, we develop a mathematical model of a RAFT copolymerization process able to predict average molecular properties as well as the full bivariate molecular weight distribution – copolymer composition distribution ...