Perspectives and challenges of physical organic chemistry

Detlef Schröder; Christoph Heinemann; Wolfram Koch; Helmut Schwarz

doi:10.1351/pac199769020273

Pure and Applied Chemistry

Paper

01 Jan 1997

Perspectives and challenges of physical organic chemistry

Download paper

Abstract

The seemingly narrow field of transition-metal ion mediated C-H bond activation of substituted alkanes in the gas phase serves as an example to illustrate some perspectives and challenges of physical organic chemistry.

Paper

Definitive Characterization of the C₃H₇⁺ Potential Energy Surface

Wolfram Koch, Bowen Liu, et al.

JACS

Paper

A Theoretical Study of the Reaction of Ketene Radical Cation with Ethylene: Nucleophilic Addition or Concerted [2+1] Cycloaddition?

Helmut Schwarz, Nikolaus Heinrich, et al.

JACS

Paper

Towards an accurate gold carbonyl binding energy in AuCO⁺: Basis set convergence and a comparison between density functional and conventional methods

Thomas K. Dargel, Roland H. Hertwig, et al.

Journal of Chemical Physics

Paper

The C₄H₇⁺Cation. A Theoretical Investigation

Wolfram Koch, Bowen Liu, et al.

JACS

View all publications

Abstract

Related

Definitive Characterization of the C3H7+ Potential Energy Surface

A Theoretical Study of the Reaction of Ketene Radical Cation with Ethylene: Nucleophilic Addition or Concerted [2+1] Cycloaddition?

Towards an accurate gold carbonyl binding energy in AuCO+: Basis set convergence and a comparison between density functional and conventional methods

The C4H7+Cation. A Theoretical Investigation

Definitive Characterization of the C₃H₇⁺ Potential Energy Surface

Towards an accurate gold carbonyl binding energy in AuCO⁺: Basis set convergence and a comparison between density functional and conventional methods

The C₄H₇⁺Cation. A Theoretical Investigation