Theoretical study of photoinduced ring-opening in furan

UV excitation and radiationless deactivation of imidazole

(2009) Mario Barbatti et al.   JOURNAL OF CHEMICAL PHYSICS

Multireference state-specific coupled-cluster methods. State-of-the-art and perspectives

(2009) Vladimir V. Ivanov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach

(2009) Fabien Gatti et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space

(2008) Anna I. Krylov   Annual Review of Physical Chemistry

Deactivation via ring opening: A quantum chemical study of the excited states of furan and comparison to thiophene

(2008) Nemanja Gavrilov et al.   CHEMICAL PHYSICS

New Algorithms for Optimizing and Linking Conical Intersection Points

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

Gradient Projection Method for Constraint Optimization and Relaxed Energy Paths on Conical Intersection Spaces and Potential Energy Surfaces

(2008) Bernhard Dick   Journal of Chemical Theory and Computation

Excited states of thiophene: ring opening as deactivation mechanism

(2008) Susanne Salzmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ultrafast dynamics in thiophene investigated by femtosecond pump probe photoelectron spectroscopy and theory

(2007) R. Weinkauf et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS