ChemViz: Chemistry Visualization and Computation of Molecular Structure
نویسندگان
چکیده
Historically, chemistry educators have tried to render chemical structures and processes more visible through the use of vivid, albeit excessively simple, visual metaphors such as the solar system serving as a model of the structure of an atom. While marginally useful in early stages of learning, such metaphors eventually interfere with students obtaining a deeper understanding of chemical concepts. More recent pedagogical work has suggested that computer-generated three-dimensional animations of certain basic processes, molecular bonding, for example, are capable of providing students with this type of richer visualization. It has been also suggested that such visualizations help students obtain a better grasp of the abstract aspects of chemistry, as opposed to the current practice of focusing on teaching algorithms.
منابع مشابه
Computational Computation of the Efferene Structure on the Para phenylene diamine
In this study, the effect of fullerene electron mobility on the composition of paraphenylenediamine and stability was studied. Using quantum chemistry calculations, the first combination of paraffenylenediamine in a single-full-time region connected with fullerene through carbon atoms was reported. Experimental research was simulated and optimized using GIS software. Then the NBO calculations w...
متن کاملTheoretical study of molecular mechanics methods on clonidine drug-carbon nano cone
In this study, geometrical optimizations of Clonidine Drug were carried out with the HF/6-31g basissets .Then, drug was put covalently to carbon nanocone with (5, 1) structure and a length of 150A. Weuse chem Office software and hyper chem at the end data will be presented as tables and Figs.Simulation was done in MM+, AMBER and OPLS force fields by Monte Carlo method. Threeimportant energy par...
متن کاملDFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals
Enaminones are those structures made up three various functional groups including carbonyl, alkeneand amine groups which arelocated along with each other in a conjugate fashion. These compoundsare of much attention due to special characteristics and numerous applications. In the paper, sixvarious enaminone structures were theoretically optimized and after concluding, were compared withequivalen...
متن کاملPreparation and Molecular Structure of [CuCl(L)]6; L= 2-(Methylamino)Pyridine
The 2-(methylamino) pyridine, L, reacts with CuCl in THF to give hexameric copper (I) complex, [CuCl(L)]6. The molecular structure has been determined by using single-crystal X-ray diffraction method. The complex crustallizes in the monoclinic space group P21/n with four molecules per unit cell. The unit cell dimensions are a = 8.3495 (15), b = 15.622 (6), and c = 17.0...
متن کاملEffect of Alkyl Substituents on the Hydrogen Bonding and Molecular Structure of Benzophenylhydroxamic Acids Crystal structure of UO2 Complex of p-Isopropylbenzophenylhydroxamic Acid
The effect of alkyl substituents on the C-phenyl and/or the N-Phenyl ring of benzophenylhydroxamic acid on their molecular structure and hydrogen bonding has been investigated. The predominant configuration in CHCl3 is determined by steric and electronic effects. Substituents on the C-phenyl ring favor the cis configuration, while substituents in the N-phenyl ring favor a trans c...
متن کامل