Relating normal vibrational modes to local vibrational modes with the help of an adiabatic connection scheme

Computational Studies on Azaphosphiridines, or How to Effect Ring-Opening Processes through Selective Bond Activation

(2011) Arturo Espinosa et al.   CHEMISTRY-A EUROPEAN JOURNAL

New Way of Describing Static and Dynamic Deformations of the Jahn–Teller Type in Ring Molecules

(2011) Wenli Zou et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Computational Analysis of the Mechanism of Chemical Reactions in Terms of Reaction Phases: Hidden Intermediates and Hidden Transition States

(2010) Elfi Kraka et al.   ACCOUNTS OF CHEMICAL RESEARCH

Understanding the Signatures of Secondary-Structure Elements in Proteins with Raman Optical Activity Spectroscopy

(2010) Christoph R. Jacob et al.   CHEMISTRY-A EUROPEAN JOURNAL

From Molecular Vibrations to Bonding, Chemical Reactions, and Reaction Mechanism

(2010) Dieter Cremer et al.   CURRENT ORGANIC CHEMISTRY

Analysis of Vibrational Raman Optical Activity Signatures of the (TG)Nand (GG)NConformations of Isotactic Polypropylene Chains in Terms of Localized Modes

(2010) Vincent Liégeois et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Characterization of CF Bonds with Multiple-Bond Character: Bond Lengths, Stretching Force Constants, and Bond Dissociation Energies

(2009) Elfi Kraka et al.   CHEMPHYSCHEM

A relook at the compliance constants in redundant internal coordinates and some new insights

(2009) M. Vijay Madhav et al.   JOURNAL OF CHEMICAL PHYSICS

Localizing normal modes in large molecules

(2009) Christoph R. Jacob et al.   JOURNAL OF CHEMICAL PHYSICS

How strong is it? The interpretation of force and compliance constants as bond strength descriptors

(2008) Kai Brandhorst et al.   CHEMICAL SOCIETY REVIEWS

Structure, Vibrational Spectra, and Unimolecular Dissociation of Gaseous 1-Fluoro-1-phenethyl Cations

(2008) Jos Oomens et al.   JOURNAL OF PHYSICAL CHEMISTRY A