Exploration of minimum energy conical intersection structures of small polycyclic aromatic hydrocarbons: toward an understanding of the size dependence of fluorescence quantum yields

From Roaming Atoms to Hopping Surfaces: Mapping Out Global Reaction Routes in Photochemistry

(2015) Satoshi Maeda et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical Study of the π → π* Excited States of Oligoacenes: A Full π-Valence DMRG-CASPT2 Study

(2014) Yuki Kurashige et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Systematic Exploration of Minimum Energy Conical Intersection Structures near the Franck–Condon Region

(2014) Satoshi Maeda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Time-Resolved Photoelectron Spectra ofCS2: Dynamics at Conical Intersections

(2014) Kwanghsi Wang et al.   PHYSICAL REVIEW LETTERS

Automated Search for Minimum Energy Conical Intersection Geometries between the Lowest Two Singlet States S0/S1-MECIs by the Spin-Flip TDDFT Method

(2013) Yu Harabuchi et al.   Journal of Chemical Theory and Computation

Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method

(2013) Satoshi Maeda et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Valence Bond Description of the Prefulvene Extended Conical Intersection Seam of Benzene

(2012) Lluís Blancafort et al.   Journal of Chemical Theory and Computation

A global picture of the S1/S0 conical intersection seam of benzene

(2010) Quansong Li et al.   CHEMICAL PHYSICS

Updated Branching Plane for Finding Conical Intersections without Coupling Derivative Vectors

(2010) Satoshi Maeda et al.   Journal of Chemical Theory and Computation

Conical intersection dynamics of the primary photoisomerization event in vision

(2010) Dario Polli et al.   NATURE

Experimental probing of conical intersection dynamics in the photodissociation of thioanisole

(2010) Jeong Sik Lim et al.   Nature Chemistry

Electronic structure of higher acenes and polyacene: The perspective developed by theoretical analyses

(2010) Holger F. Bettinger   PURE AND APPLIED CHEMISTRY

Future perspectives of nonadiabatic chemical dynamics

(2010) Shinkoh Nanbu et al.   Chemical Science

Optimizing Conical Intersections by Spin−Flip Density Functional Theory: Application to Ethylene

(2009) Noriyuki Minezawa et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Automated Global Mapping of Minimal Energy Points on Seams of Crossing by the Anharmonic Downward Distortion Following Method: A Case Study of H2CO

(2009) Satoshi Maeda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Probing Ultrafast Internal Conversion through Conical Intersection via Time-Energy Map of Photoelectron Angular Anisotropy

(2009) Takuya Horio et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

New Algorithms for Optimizing and Linking Conical Intersection Points

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

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