Tracing the Fingerprint of Chemical Bonds within the Electron Densities of Hydrocarbons: A Comparative Analysis of the Optimized and the Promolecule Densities

To What Extent are “Atoms in Molecules” Structures of Hydrocarbons Reproducible from the Promolecule Electron Densities?

(2016) Zahra Alimohammadi Keyvani et al.   CHEMISTRY-A EUROPEAN JOURNAL

Ring-Strain-Enabled Reaction Discovery: New Heterocycles from Bicyclo[1.1.0]butanes

(2015) Maciej A. A. Walczak et al.   ACCOUNTS OF CHEMICAL RESEARCH

Inverted Carbon Geometries: Challenges to Experiment and Theory

(2015) Matthias Bremer et al.   JOURNAL OF ORGANIC CHEMISTRY

Six questions on topology in theoretical chemistry

(2015) Paul L. Ayers et al.   Computational and Theoretical Chemistry

On atom–atom `short contact' bonding interactions in crystals

(2015) Claude Lecomte et al.   IUCrJ

Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths

(2014) Cina Foroutan-Nejad et al.   CHEMISTRY-A EUROPEAN JOURNAL

Theoretical interpretation of the vibrational spectrum of bicyclo[1.1.0]butane in terms of an ab initio anharmonic model

(2014) K. V. Berezin et al.   OPTICS AND SPECTROSCOPY

TABS: A database of molecular structures

(2014) Shamus A. Blair et al.   Computational and Theoretical Chemistry

Evidence for Charge-Shift Bonding in [1.1.1]Propellanes C5H6 and E5Me6 (E = Si, Ge, Sn): A Theoretical Investigation

(2013) Congjie Zhang et al.   ORGANOMETALLICS

Arynes and Cyclohexyne in Natural Product Synthesis

(2012) Christian M. Gampe et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Observations and Descriptions versus Explanations-An Example: Does Nature, Does Theory Know About Steric Hindrance?

(2012) W. H. Eugen Schwarz et al.   CHEMISTRY-A EUROPEAN JOURNAL

Spectroscopic and Computational Studies on the Rearrangement of Ionized [1.1.1]Propellane and Some of its Valence Isomers: The Key Role of Vibronic Coupling

(2010) Beat Müller et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An Excursion from Normal to Inverted CC Bonds Shows a Clear Demarcation between Covalent and Charge-Shift CC Bonds

(2009) Sason Shaik et al.   CHEMPHYSCHEM

The Inverted Bond in [1.1.1]Propellane is a Charge-Shift Bond

(2008) Wei Wu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION