Free Energy of a Nonuniform System. I. Interfacial Free Energy
It is shown that the free energy of a volume V of an isotropic system of nonuniform composition or density is given by : NV∫V [f0(c)+κ(▿c)2]dV, where NV is the number of molecul...
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<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
A consistent set of ab initio effective core potentials (ECP) has been generated for the main group elements from Na to Bi using the procedure originally developed by Kahn. The ...
Chemistry with ADF
Abstract We present the theoretical and technical foundations of the Amsterdam Density Functional (ADF) program with a survey of the characteristics of the code (numerical integ...
Supramolecular Chemistry
Part 1 From molecular to supramolecular chemistry: concepts and language of supramolecular chemistry. Part 2 Molecular recognition: recognition, information, complementarity mol...
<b>Hard and Soft Acids and Bases</b>
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHard and Soft Acids and BasesRalph G. PearsonCite this: J. Am. Chem. Soc. 1963, 85, 22, 3533–3539Publication Date (Print):November 1,...
A Colorimetric Method for the Determination of Serum Glutamic Oxalacetic and Glutamic Pyruvic Transaminases
Journal Article A Colorimetric Method for the Determination of Serum Glutamic Oxalacetic and Glutamic Pyruvic Transaminases Get access Stanley Reitman, M.D., Stanley Reitman, M....
z-Tree: Zurich toolbox for ready-made economic experiments
Abstract z-Tree (Zurich Toolbox for Ready-made Economic Experiments) is a software for developing and conducting economic experiments. The software is stable and allows programm...
A molecular dynamics method for simulations in the canonical ensemble
A molecular dynamics simulation method which can generate configurations belonging to the canonical (T, V, N) ensemble or the constant temperature constant pressure (T, P, N) en...