Supramolecular Chemistry
Part 1 From molecular to supramolecular chemistry: concepts and language of supramolecular chemistry. Part 2 Molecular recognition: recognition, information, complementarity mol...
Publications
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702 publications
<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....
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...
Dispersion and Absorption in Dielectrics I. Alternating Current Characteristics
The dispersion and absorption of a considerable number of liquid and dielectrics are represented by the empirical formula ε*−ε∞=(ε0−ε∞)/[1+(iωτ0)1−α]. In this equation, ε* is th...
The Cambridge Structural Database
The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal–organic small-molecule crystal structures. The database has been in operati...
THE CONSTITUTION AND FUNDAMENTAL PROPERTIES OF SOLIDS AND LIQUIDS. PART I. SOLIDS.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTHE CONSTITUTION AND FUNDAMENTAL PROPERTIES OF SOLIDS AND LIQUIDS. PART I. SOLIDS.Irving LangmuirCite this: J. Am. Chem. Soc. 1916, 3...
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
Avogadro offers a semantic chemical builder and platform for visualization and analysis. For users, it offers an easy-to-use builder, integrated support for downloading from com...
Natural population analysis
A method of ‘‘natural population analysis’’ has been developed to calculate atomic charges and orbital populations of molecular wave functions in general atomic orbital basis se...
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
A new implementation of the conductor-like screening solvation model (COSMO) in the GAUSSIAN94 package is presented. It allows Hartree−Fock (HF), density functional (DF) and pos...