Between ethylene and polyenes - the non-adiabatic dynamics of cis-dienes

Validity of the Bersohn–Zewail model beyond justification

(2012) Jakob Petersen et al.   CHEMICAL PHYSICS LETTERS

Coherent Motion Reveals Non-Ergodic Nature of Internal Conversion between Excited States

(2012) Thomas S. Kuhlman et al.   CHEMPHYSCHEM

The Ultrafast Pathway of Photon-Induced Electrocyclic Ring-Opening Reactions: The Case of 1,3-Cyclohexadiene

(2011) Sanghamitra Deb et al.   Annual Review of Physical Chemistry

Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients

(2011) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

Ring-Closing and Dehydrogenation Reactions of Highly Excitedcis-Stilbene: Ultrafast Spectroscopy and Structural Dynamics

(2011) Jie Bao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Role of Rydberg States in the Photochemical Dynamics of Ethylene

(2011) Toshifumi Mori et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ultrafast Curve Crossing Dynamics through Conical Intersections in Methylated Cyclopentadienes

(2010) Fedor Rudakov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Substituent Effects on Dynamics at Conical Intersections: Cyclopentadienes

(2010) Oliver Schalk et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Seaming is believing

(2010) Todd J. Martinez   NATURE

Conical intersection dynamics of the primary photoisomerization event in vision

(2010) Dario Polli et al.   NATURE

Ground state recovery and molecular structure upon ultrafast transition through conical intersections in cyclic dienes

(2009) Fedor Rudakov et al.   CHEMICAL PHYSICS LETTERS

Dynamic electron correlation effect on conical intersections in photochemical ring-opening reaction of cyclohexadiene: MS-CASPT2 study

(2009) Toshifumi Mori et al.   CHEMICAL PHYSICS LETTERS

Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states

(2009) Jun Shen et al.   JOURNAL OF CHEMICAL PHYSICS

Ab Initio Multiple Spawning Dynamics of Excited Butadiene: Role of Charge Transfer

(2009) Benjamin G. Levine et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Implementation of ab initio multiple spawning in the Molpro quantum chemistry package

(2008) Benjamin G. Levine et al.   CHEMICAL PHYSICS

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

(2008) Marko Schreiber et al.   JOURNAL OF CHEMICAL PHYSICS

Optimization methods for finding minimum energy paths

(2008) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic excited-state dynamics of polar π-systems and related model compounds of biological relevance

(2008) Mario Barbatti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Optimizing Conical Intersections without Derivative Coupling Vectors:  Application to Multistate Multireference Second-Order Perturbation Theory (MS-CASPT2)†

(2007) Benjamin G. Levine et al.   JOURNAL OF PHYSICAL CHEMISTRY B