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XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and macOS. It is distributed under the GNU GPL . In Microsoft Windows this program is called WinDrawChem.
This Wikipedia page provides a comprehensive list of boiling and freezing points for various solvents.
An example of this determination is given by Park et al. [9] Briefly, the full width of the photoelectron spectrum (from the highest kinetic energy/lowest binding energy point to the low kinetic energy cutoff) is measured and subtracted from the photon energy of the exciting radiation, and the difference is the work function. Often, the sample ...
Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] and thermochemical recipes including G3(MP2) [6] and T1. [7]
With the aid of these rules the UV absorption maximum can be predicted, for example in these two compounds: [8] In the compound on the left, the base value is 214 nm (a heteroannular diene). This diene group has 4 alkyl substituents (labeled 1,2,3,4) and the double bond in one ring is exocyclic to the other (adding 5 nm for an exocyclic double ...
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The electrochemical window (EW) is an important concept in organic electrosynthesis and design of batteries, especially organic batteries. [5] This is because at higher voltage (greater than 4.0 V) organic electrolytes decompose and interferes with the oxidation and reduction of the organic cathode/anode materials.
With various solvents there is a different effect on the electronic ground state and excited state of the solute, so that the size of energy gap between them changes as the solvent changes. This is reflected in the absorption or emission spectrum of the solute as differences in the position, intensity, and shape of the spectroscopic bands .