Masahiro Ehara - researchr alias

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Viewing Publication 1 - 11 from 11

2019

2018

Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systemsTakafumi Shiraogawa, Masahiro Ehara, Sandro Jurinovich, Lorenzo Cupellini, Benedetta Mennucci. jcc, 39(16):931-935, 2018. [doi]

2017

Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case studyMarika Savarese, Umberto Raucci, Ryoichi Fukuda, Carlo Adamo, Masahiro Ehara, Nadia Rega, Ilaria Ciofini. jcc, 38(14):1084-1092, 2017. [doi]

2016

Projected CAP/SAC-CI method with smooth Voronoi potential for calculating resonance statesMasahiro Ehara, Ryoichi Fukuda, Thomas Sommerfeld. jcc, 37(2):242-249, 2016. [doi]

2014

Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size moleculesRyoichi Fukuda, Masahiro Ehara. jcc, 35(30):2163-2176, 2014. [doi]

2013

Chemically intuitive indices for charge-transfer excitation based on SAC-CI and TD-DFT calculationsMasahiro Ehara, Ryoichi Fukuda, Carlo Adamo, Ilaria Ciofini. jcc, 34(29):2498-2501, 2013. [doi]

New paint and a new engineCharles L. Brooks III, Masahiro Ehara, Gernot Frenking, Peter R. Schreiner. jcc, 34(1):1, 2013. [doi]

2011

Electronic excited states of macrocyclic compounds: direct SAC-CI studyRyoichi Fukuda, Masahiro Ehara, Hiroshi Nakatsuji. procedia, 4:1129-1134, 2011. [doi]

2003

Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI studyAbhijit K. Das, Jun-Ya Hasegawa, Tomoo Miyahara, Masahiro Ehara, Hiroshi Nakatsuji. jcc, 24(12):1421-1431, 2003. [doi]

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