Modern Chemistry Part i Theoretical Chemistry

Theoretical Chemistry I

“Solange als noch für die chymischen Wirkungen der Materien aufeinander kein Begriff ausgefunden wird, der sich construieren läßt, d. i. kein Gesetz der Annäherung oder Entfernung der Theile angeben läßt, nach welchem etwa in Propertionen ihrer Dichtigkeiten u.d.g. ihre Bewegungen samt ihren Folgen sich im Raume a priori anschaulich machen und darstellen lassen (eine Forderung, die schwerlich j...

Theoretical Chemistry I Quantum Mechanics

Chemistry & Theory of Chromium Deposition: Part I - Chemistry

Although electrodeposition of chromium has heen practiced for 75 years, the mechanism is still open to conjecture. Par t of the reason is the complexity of the chemistry ofchromic acidand its existencetnaqueoussolutionin the form of coordinated octahedral complexes. These complexes vary both structurally and kinetically a t different CrO, concentrations. Thechemistryoftriand hexavalent Chromium...

Chemistry of phosphorylated formaldehyde derivatives. Part I.

The underinvestigated derivatives of unstable phosphorylated formaldehyde acetals and some of the structurally related compounds, such as thioacetals, aminonitriles, aminomethylphosphinoyl compounds, are considered. Separately considered are halogen aminals of phosphorylated formaldehyde, acetals of phosphorylated formaldehyde of H-phosphinate-type and a phosphorylated gem-diol of formaldehyde....

2 Theoretical Organic Chemistry

Theoretical organic chemistry encompasses a wide range of topics, spanning from high level electronic structural calculations of simple organic molecules using well-established ab initio molecular orbital or density functional theory techniques to computer simulations of chemical reactions and interactions in solution. This article is divided into two sections: theoretical developments and appl...