The response of the electronic structure to electronic excitation and double bond torsion in fulvene: a combined QTAIM, stress tensor and MO perspective

Photophysics of fulvene under the non-resonant stark effect. Shaping the conical intersection seam

(2013) Sergi Ruiz-Barragan et al.   FARADAY DISCUSSIONS

Towards converging non-adiabatic direct dynamics calculations using frozen-width variational Gaussian product basis functions

(2012) David Mendive-Tapia et al.   JOURNAL OF CHEMICAL PHYSICS

Exploration of the π-Electronic Structure of Singlet, Triplet, and Quintet States of Fulvenes and Fulvalenes Using the Electron Localization Function

(2012) Christian Dahlstrand et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nonequilibrium Fermi golden rule for electronic transitions through conical intersections

(2011) Artur F. Izmaylov et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum dynamics study of fulvene double bond photoisomerization: The role of intramolecular vibrational energy redistribution and excitation energy

(2011) Lluís Blancafort et al.   JOURNAL OF CHEMICAL PHYSICS

Influence of excited state aromaticity in the lowest excited singlet states of fulvene derivatives

(2011) Martin Rosenberg et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Conical intersection dynamics of the primary photoisomerization event in vision

(2010) Dario Polli et al.   NATURE

Controlling the mechanism of fulvene S1/S0 decay: switching off the stepwise population transfer

(2010) David Mendive-Tapia et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum dynamical simulations for nuclear spin selective laser control of ortho- and para-fulvene

(2009) S. Belz et al.   JOURNAL OF CHEMICAL PHYSICS

An electron-preceding perspective on the deformation of materials

(2009) Paul W. Ayers et al.   JOURNAL OF CHEMICAL PHYSICS

Bond Paths Are Not Chemical Bonds

(2009) Richard F. W. Bader   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic stress tensor description of chemical bonds using nonclassical bond order concept

(2008) Paweł Szarek et al.   JOURNAL OF CHEMICAL PHYSICS