Ab Initio Studies of Aromatic Excimers Using Multiconfiguration Quasi-Degenerate Perturbation Theory
Shirai, Soichi, Iwata, Suehiro, Tani, Takao, Inagaki, Shinji
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.07.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.07.2011)
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Journal Article
Absolutely Local Occupied and Excited Molecular Orbitals in the Third-Order Single Excitation Perturbation Theory for Molecular Interaction
Iwata, Suehiro
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.08.2010)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.08.2010)
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Journal Article
Cooperative Roles of Charge Transfer and Dispersion Terms in Hydrogen-Bonded Networks of (H2O) n , n = 6, 11, and 16
Iwata, Suehiro, Bandyopadhyay, Pradipta, Xantheas, Sotiris S
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.08.2013)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.08.2013)
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Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)n, n = 8, 20 and 24
Iwata, Suehiro, Akase, Dai, Aida, Misako, Xantheas, Sotiris S
Published in Physical chemistry chemical physics : PCCP (2016)
Published in Physical chemistry chemical physics : PCCP (2016)
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Journal Article
Ab Initio Molecular Orbital Study on the Excited States of [2.2]‑, [3.3]‑, and Siloxane-Bridged Paracyclophanes
Shirai, Soichi, Iwata, Suehiro, Maegawa, Yoshifumi, Tani, Takao, Inagaki, Shinji
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.10.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.10.2012)
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Journal Article
Noncovalent Isotope Effect for Guest Encapsulation in Self-Assembled Molecular Capsules
Haino, Takeharu, Fukuta, Katsunori, Iwamoto, Hajime, Iwata, Suehiro
Published in Chemistry : a European journal (14.12.2009)
Published in Chemistry : a European journal (14.12.2009)
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Journal Article
Ab Initio Hartree−Fock and Density Functional Studies on the Structures and Vibrations of an Infinite Hydrogen Fluoride Polymer
Hirata, So, Iwata, Suehiro
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.10.1998)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.10.1998)
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Resonance Raman and FTIR Spectra of Isotope-Labeled Reduced 1,4-Benzoquinone and Its Protonated Forms in Solutions
Zhao, Xiaojie, Imahori, Hiroshi, Zhan, Chang-Guo, Sakata, Yoshiteru, Iwata, Suehiro, Kitagawa, Teizo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.01.1997)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.01.1997)
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