Exploring radiative and nonradiative decay paths in indole, isoindole, quinoline, and isoquinoline

Implementation and performance of the artificial force induced reaction method in the GRRM17 program

(2017) Satoshi Maeda et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces

(2016) Satoshi Maeda et al.   CHEMICAL RECORD

Nonadiabatic Pathways of Furan and Dibenzofuran: What Makes Dibenzofuran Fluorescent?

(2016) Yu Harabuchi et al.   CHEMISTRY LETTERS

Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin–Vibronic Quantum Dynamics

(2016) Yu Harabuchi et al.   Journal of Chemical Theory and Computation

Multistep Intersystem Crossing Pathways in Cinnamate-Based UV-B Sunscreens

(2016) Kaoru Yamazaki et al.   Journal of Physical Chemistry Letters

Theoretical study on mechanism of the photochemical ligand substitution of fac-[ReI(bpy)(CO)3(PR3)]+ complex

(2016) Kenichiro Saita et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

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

(2015) Yu Harabuchi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

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

Updated Branching Plane for Finding Conical Intersections without Coupling Derivative Vectors

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

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

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