Publications

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...

Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Cr, Mn, Fe, Co and Ni

A scaling method for priorities in hierarchical structures

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...

A fast and robust algorithm for Bader decomposition of charge density

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...