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Advances in Physical Chemistry
Volume 2012 (2012), Article ID 268124, 13 pages
Exploring Multiple Potential Energy Surfaces: Photochemistry of Small Carbonyl Compounds
1The Hakubi Center, Kyoto University, Kyoto 606-8302, Japan
2Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan
3Toyota Physical and Chemical Research Institute, Nagakute, Aichi 480-1192, Japan
4Department of Chemistry and The Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, GA 30322, USA
Received 20 June 2011; Accepted 9 August 2011
Academic Editor: Xinchuan Huang
Copyright © 2012 Satoshi Maeda et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Citations to this Article [13 citations]
The following is the list of published articles that have cited the current article.
- Hongyan Xiao, Satoshi Maeda, and Keiji Morokuma, “Global ab initio potential energy surfaces for low-lying doublet states of NO 3,” Journal of Chemical Theory and Computation, vol. 8, no. 8, pp. 2600–2605, 2012.
- Satoshi Maeda, Tetsuya Taketsugu, and Keiji Morokuma, “Automated Exploration of Photolytic Channels of HCOOH: Conformational Memory via Excited-State Roaming,” Journal Of Physical Chemistry Letters, vol. 3, no. 14, pp. 1900–1907, 2012.
- Satoshi Maeda, Erika Abe, Miho Hatanaka, Tetsuya Taketsugu, and Keiji Morokuma, “Exploring Potential Energy Surfaces of Large Systems with Artificial Force Induced Reaction Method in Combination with ONIOM and Microiteration,” Journal Of Chemical Theory And Computation, vol. 8, no. 12, pp. 5058–5063, 2012.
- Hongyan Xiao, Satoshi Maeda, and Keiji Morokuma, “CASPT2 Study of Photodissociation Pathways of Ketene,” The Journal of Physical Chemistry A, vol. 117, no. 32, pp. 7001–7008, 2013.
- Hongyan Xiao, Satoshi Maeda, and Keiji Morokuma, “ Theoretical Study on the Photodissociation of Methylamine Involving S 1 , T 1 , and S 0 States ,” The Journal of Physical Chemistry A, pp. 130705070746006, 2013.
- Yu Harabuchi, Satoshi Maeda, Tetsuya Taketsugu, Noriyuki Minezawa, and Keiji Morokuma, “ Automated search for minimum energy conical intersection geometries between the lowest two singlet states S 0 /S 1 -MECIs by the spin-flip TDDFT method ,” Journal of Chemical Theory and Computation, pp. 130722151723006, 2013.
- Satoshi Maeda, Tetsuya Taketsugu, and Keiji Morokuma, “Exploring Pathways of Photoaddition Reactions by Artificial Force Induced Reaction Method: A Case Study on the Paternò–Büchi Reaction,” Zeitschrift für Physikalische Chemie, pp. 130617035227002, 2013.
- Satoshi Maeda, Tetsuya Taketsugu, and Keiji Morokuma, “Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method,” Journal of Computational Chemistry, 2013.
- Satoshi Maeda, Koichi Ohno, and Keiji Morokuma, “Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods,” Physical Chemistry Chemical Physics, vol. 15, no. 11, pp. 3683–3701, 2013.
- Satoshi Maeda, Yu Harabuchi, Tetsuya Taketsugu, and Keiji Morokuma, “Systematic Exploration of Minimum Energy Conical Intersection Structures near the Franck–Condon Region,” The Journal of Physical Chemistry A, pp. 140926103423006, 2014.
- Miho Isegawa, Fengyi Liu, Satoshi Maeda, and Keiji Morokuma, “Ab initio reaction pathways for photodissociation and isomerization of nitromethane on four singlet potential energy surfaces with three roaming paths,” The Journal of Chemical Physics, vol. 140, no. 24, pp. 244310, 2014.
- Miho Hatanaka, and Keiji Morokuma, “Exploring the reaction coordinates for f-f emission and quenching of lanthanide complexes – thermo-sensitivity of terbium(III) luminescence,” Journal of Chemical Theory and Computation, pp. 141001160746005, 2014.
- Satoshi Maeda, Tetsuya Taketsugu, Koichi Ohno, and Keiji Morokuma, “From Roaming Atoms to Hopping Surfaces: Mapping Out Global Reaction Routes in Photochemistry,” Journal of the American Chemical Society, pp. 150302095503003, 2015.