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The Journal of Physical Chemistry Letters|September 8, 2022
Exploration of Chemical Space for Designing Functional Molecules Accounting for Geometric StabilityTakafumi Shiraogawa, Jun-Ya HasegawaThe Journal of Physical Chemistry. A|May 5, 2023
Optimization of General Molecular Properties in the Equilibrium Geometry Using Quantum Alchemy: An Inverse Molecular Design ApproachTakafumi Shiraogawa, Jun-Ya HasegawaThe Journal of Chemical Physics|July 24, 2017
Selected configuration interaction method using sampled first-order corrections to wave functionsYuhki Ohtsuka, Jun-Ya HasegawaJournal of the American Chemical Society|June 26, 2007
Red light in chemiluminescence and yellow-green light in bioluminescence: color-tuning mechanism of firefly, Photinus pyralis, studied by the symmetry-adapted cluster-configuration interaction methodNaoki Nakatani, Jun-Ya Hasegawa, Hiroshi NakatsujiPhysical Chemistry Chemical Physics : PCCP|June 13, 2024
Characterization of changes in the electronic structure of platinum sub-nanoclusters supported on graphene induced by oxygen adsorptionHinoki Hirase, Kenji Iida, Jun-Ya HasegawaJournal of Computational Chemistry|January 19, 2006
On the reversible O2 binding of the Fe-porphyrin complexHiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi NakatsujiPolymers|April 16, 2020
Roles of Salicylate Donors in Enhancement of Productivity and Isotacticity of Ziegler-Natta Catalyzed Propylene PolymerizationManussada Ratanasak, Jun-Ya Hasegawa, Vudhichai ParasukJournal of Computational Chemistry|November 11, 2018
Constraint structure optimization to a specific minimum using ionization energyIori Harada, Akira Nakayama, Jun-Ya HasegawaJournal of Computational Chemistry|June 22, 2006
On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexesHiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi NakatsujiThe Journal of Physical Chemistry. A|August 25, 2011
Bridge-mediated excitation energy transfer pathways through protein media: a Slater determinant-based electronic coupling calculation combined with localized molecular orbitalsTsutomu Kawatsu, Kenji Matsuda, Jun-ya HasegawaPageof 9