Molecular features in complex environment: Cooperative team players during excited state bond cleavage

Quantum Dynamics in an Explicit Solvent Environment: A Photochemical Bond Cleavage Treated with a Combined QD/MD Approach

(2015) Sebastian Thallmair et al.   Journal of Chemical Theory and Computation

Scales of Lewis Basicities toward C-Centered Lewis Acids (Carbocations)

(2015) Herbert Mayr et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reactivity scales for quantifying polar organic reactivity: the benzhydrylium methodology

(2015) Herbert Mayr   TETRAHEDRON

Quantum Dynamics of a Photochemical Bond Cleavage Influenced by the Solvent Environment: A Dynamic Continuum Approach

(2014) Sebastian Thallmair et al.   Journal of Physical Chemistry Letters

A Comprehensive Microscopic Picture of the Benzhydryl Radical and Cation Photogeneration and Interconversion through Electron Transfer

(2013) Christian F. Sailer et al.   CHEMPHYSCHEM

Ground and Excited State Surfaces for the Photochemical Bond Cleavage in Phenylmethylphenylphosphonium Ions

(2013) Sebastian Thallmair et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Photogeneration of carbocations: applications in physical organic chemistry and the design of suitable precursors

(2013) Johannes Ammer et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Nuclear dynamics for a three-state Jahn–Teller model system

(2012) Pascal Krause et al.   JOURNAL OF CHEMICAL PHYSICS

Buildup and Decay of the Optical Absorption in the Ultrafast Photo-Generation and Reaction of Benzhydryl Cations in Solution

(2012) Benjamin P. Fingerhut et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Photolytic Generation of Benzhydryl Cations and Radicals from Quaternary Phosphonium Salts: How Highly Reactive Carbocations Survive Their First Nanoseconds

(2012) Johannes Ammer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Time-Dependent Picture of the Ultrafast Deactivation of keto-Cytosine Including Three-State Conical Intersections

(2010) Jesús González-Vázquez et al.   CHEMPHYSCHEM

New Algorithms for Optimizing and Linking Conical Intersection Points

(2008) Fabrizio Sicilia et al.   Journal of Chemical Theory and Computation

On the Extent and Connectivity of Conical Intersection Seams and the Effects of Three-State Intersections

(2008) Joshua D. Coe et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Searching for Conical Intersections of Potential Energy Surfaces with the ONIOM Method: Application to Previtamin D

(2008) Michael J. Bearpark et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ultrafast dissociation pathways of diphenylmethyl chloride to generate reactive carbo cations

(2007) Benjamin P. Fingerhut et al.   CHEMICAL PHYSICS