[1]. Modeling of the hydrogen bond-induced frequency shifts of the HOH and HOD bending modes of water
J. Phys. Chem. A 128/26 5146-5157 （2024年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii and Tomoka Akazawa [DOI]
[2]. Roles of electrostatics and intermolecular electronic motions in the structural and spectroscopic features of hydrogen- and halogen-bonded systems
Pure Appl. Chem. 96/4 579-595 （2024年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[3]. Intermolecular charge fluxes and terahertz spectral features of liquid methanol
J. Mol. Liq. 390/ - 123111 （2023年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[4]. Asymmetry of the electrostatic environment as the origin of the symmetry breaking effect of the nitrate ion in aqueous solution
J. Phys. Chem. B 127 /29 6507-6515 （2023年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii and Kao Watanabe [DOI]
[5]. Substituent effect and its halogen-atom dependence of halogen bonding viewed through electron density changes
Chem. Asian J. 18/3 - e202201196 （2023年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Takanori Sakai and Hajime Torii [DOI]
[6]. What electron densities and their changes tell us about intermolecular interactions
AIP Conference Proceedings 2611/ - 020003 （2022年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[7]. Nature of hydrogen-bond-enhanced halogen bonding viewed through electron density changes
Phys. Chem. Chem. Phys. 24/30 17951-17955 （2022年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii, Akari Kimura, and Takanori Sakai [DOI]
[8]. Role of the electrostatic interactions in the changes in the CN stretching frequency of benzonitrile interacting with hydrogen-bond donating molecules
J. Mol. Liq. 362/ - 119714 （2022年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Miyu Hirose and Hajime Torii [DOI]
[9]. Infrared Spectra and Hydrogen-Bond Configurations of Water Molecules at the Interface of Water-Insoluble Polymers under Humidified Conditions
J. Phys. Chem. B 126/22 4143-4151 （2022年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Yuka Ikemoto, Yoshihisa Harada, Masaru Tanaka, Shin-nosuke Nishimura, Daiki Murakami, Naoya Kurahashi, Taro Moriwaki, Kosuke Yamazoe, Hitoshi Washizu, Yoshiki Ishii, and Hajime Torii [DOI]
[10]. Theoretical analysis toward better description of the wavenumber shifts of the OH stretch of hydrogen-bonded water
J. Raman Spectrosc. 53/10 1785-1792 （2022年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Yukichi Kitamura and Hajime Torii [DOI]
[11]. Singular value decomposition analysis of the electron density changes occurring upon electrostatic polarization of water
RSC Adv. 12/5 2564-2573 （2022年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[12]. Hidden halogen-bonding ability of fluorine manifesting in the hydrogen-bond configurations of hydrogen fluoride
J. Phys. Chem. B 125/42 11742-11750 （2021年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Kento Saito and Hajime Torii [DOI]
[13]. Role of intermolecular charge fluxes in the hydrogen-bond-induced frequency shifts of the OH stretching mode of water
J. Phys. Chem. B 125/5 1468-1475 （2021年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii and Ryota Ukawa [DOI]
[14]. Dissecting the electric quadrupolar and polarization effects operating in halogen bonding with a focus on bromine
J. Chem. Phys. 153/17 174302- （2020年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Kento Saito, Ryoma Izumi, and Hajime Torii [DOI]
[15]. Vibrational spectroscopic map, vibrational spectroscopy, and intermolecular interaction
Chem. Rev. 120 /15 7152-7218 （2020年） [査読] 有 [国際共著論文] 該当する
[責任著者・共著者の別] 共著者
[著者] C. R. Baiz, B. Błasiak, J. Bredenbeck, M. Cho, J.-H. Choi, S. A. Corcelli, A. G. Dijkstra, C.-J. Feng, S. Garrett-Roe, N.-H. Ge, M. W. D. Hanson-Heine, J. D. Hirst, T. L. C. Jansen, K. Kwac, K. J. Kubarych, C. H. Londergan, H. Maekawa, M. Reppert, S. Saito, S. Roy, J. L. Skinner, G. Stock, J. E. Straub, M. C. Thielges, K. Tominaga, A. Tokmakoff, H. Torii, L. Wang, L. J. Webb, and M. T. Zanni [DOI]
[16]. Hydrogen order at the surface of ice Ih revealed by vibrational spectroscopy
Chem. Commun. 56/ 4563-4566 （2020年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 共著者
[著者] Yuki Nojima, Yuki Shioya, Hajime Torii, and Shoichi Yamaguchi [DOI]
[17]. Correlation of the partial charge-transfer and covalent nature of halogen bonding with the THz and IR spectral changes
Phys. Chem. Chem. Phys. 21/31 17118-17125 （2019年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[18]. Theoretical analysis and modeling of the electrostatic responses of the vibrational and NMR spectroscopic properties of the cyanide anion
J. Mol. Liq. 284/ 773-779 （2019年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[19]. Dynamical behavior of molecular partial charges implied by the far-infrared spectral profile of liquid water
Chem. Phys. 512/ 165-170 （2018年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[20]. Intermediate length-scale chirality related to the vibrational circular dichroism intensity enhancement upon fibril formation in a gelation process
Phys. Chem. Chem. Phys. 20/22 14992-14996 （2018年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii and Hisako Sato [備考] selected as a 2018 PCCP HOT Article
[DOI]
[21]. Intermolecular charge fluxes and far-infrared spectral intensities of liquid formamide
Phys. Chem. Chem. Phys. 20/5 3029 -3039 （2018年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[22]. Strategy for modeling the electrostatic responses of the spectroscopic properties of proteins
J. Phys. Chem. B 122 /1 154-164 （2018年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[23]. New Twist in the Theories on the Secondary Structure Dependence and Hydration Effect of the Vibrational Properties of Peptides
AIP Conference Proceedings 1790/ - 020025 （2016年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[24]. Unified electrostatic understanding on the solvation-induced changes in the CN stretching frequency and the NMR chemical shifts of a nitrile
J. Phys. Chem. A 120/36 7137-7144 （2016年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[25]. Roles of the scalar and vector components of the solvation effects on the vibrational properties of hydrogen- or halogen-bond accepting stretching modes
Phys. Chem. Chem. Phys. 18/15 10081-10096 （2016年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] [責任著者]Hajime Torii [共著者]Saori Noge [DOI]
[26]. Secondary structure dependence and hydration effect of the infrared intensity of the amide II mode of peptide chains
J. Phys. Chem. B 120/8 1624-1634 （2016年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] [責任著者]Hajime Torii [共著者]Megumi Kawanaka [DOI]
[27]. Simulations of the THz Spectrum of Liquid Water Incorporating the Effects of Intermolecular Charge Fluxes through Hydrogen Bonds
AIP Conference Proceedings 1702/(num) 090043- (zzz) （2015年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii
[28]. Solvation structure around the Li+ ion in mixed cyclic/linear carbonate solutions unveiled by the Raman noncoincidence effect
J. Phys. Chem. Lett. 6/16 3296-3302 （2015年） [査読] 有 [国際共著論文] 該当する
[責任著者・共著者の別] 責任著者
[著者] [責任著者]Hajime Torii,Maria Grazia Giorgini [共著者]Kazuma Futamatagawa,Maurizio Musso,Stefano Cerini [DOI]
[29]. Electronic structural basis for the atomic partial charges of planar molecular systems derived from out-of-plane dipole derivatives
J. Phys. Chem. A 119/13 3277-3284 （2015年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[30]. Amide I vibrational properties affected by hydrogen bonding out-of-plane of the peptide group
J. Phys. Chem. Lett. 6/4 727-733 （2015年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii
[31]. Cooperative contributions of the intermolecular charge fluxes and intramolecular polarizations in the far-infrared spectral intensities of liquid water
J. Chem. Theory Comput. 10/3 1219-1227 （2014年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[32]. Delocalized electrons in infrared intensities
J. Mol. Struct. 1056/1 84-96 （2014年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[33]. Vibrational polarizabilities of hydrogen-bonded water
Chem. Phys. 419/1 90-96 （2013年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[34]. Extended nature of the molecular dipole of hydrogen-bonded water
J. Phys. Chem. A 117 /9 2044-2051 （2013年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii
[35]. Properties of halogen atoms related to the electrostatic origin of halogen bonding: Basic aspects and some applications
AIP Conference Proceedings 1504/(num) 228-239 （2012年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii
[36]. 分子動力学法を用いた液相系の赤外・遠赤外およびラマンスペクトルのシミュレーション
分光研究 61/5 198-208 （2012年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] 鳥居 肇
[37]. 液相系の赤外・遠赤外スペクトルの計算手法と基礎理論
日本赤外線学会誌 22/1 31-39 （2012年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] 鳥居 肇
[38]. Mechanism of the secondary structure dependence of the infrared intensity of the amide II mode of peptide chains
J. Phys. Chem. Lett. 3/1 112-116 （2012年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii
[39]. Merged- and separate-band behavior of the C=O stretching band in N,N-dimethylformamide isotopic liquid mixtures: DMF/DMF-d1, DMF/DMF-d6, and DMF/DMF-13C=O
J. Phys. Chem. B 116 /1 353-366 （2012年） [査読] 有 [国際共著論文] 該当する
[責任著者・共著者の別] 責任著者
[著者] [責任著者]Hajime Torii [共著者]Maria Grazia Giorgini,Maurizio Musso
[40]. Intermolecular electron density modulations in water and their effects on the far-infrared spectral profiles at 6 THz
J. Phys. Chem. B 115/20 6636-6643 （2011年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii
[41]. Intra- and intermolecular charge fluxes induced by the OH stretching mode of water and their effects on the infrared intensities and intermolecular vibrational coupling
J. Phys. Chem. B 114/42 13403-13409 （2010年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[42]. Intermolecular charge flux as the origin of infrared intensity enhancement upon halogen-bond formation of the peptide group
J. Chem. Phys. 133/3 034504- (zzz) （2010年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] Hajime Torii [DOI]
[43]. The influence of alkaline earth ions on the structural organization of acetone probed by the noncoincidence effect of the (C=O) band: Experimental and quantum chemical results
Phys. Chem. Chem. Phys. 12/1 183-192 （2010年） [査読] 有 [国際共著論文] 該当する
[責任著者・共著者の別] 共著者
[著者] [責任著者]Maria Grazia Giorgini [共著者]Hajime Torii,Maurizio Musso [DOI]
[44]. Properties of halogen atoms for representing intermolecular electrostatic interactions related to halogen bonding and their substituent effects
J. Comput. Chem. 31/1 107-116 （2010年） [査読] 有 [国際共著論文] 該当しない
[責任著者・共著者の別] 責任著者
[著者] [責任著者]Hajime Torii [共著者]Masaki Yoshida [DOI]
[45]. Locally strong polarity in the solvent effect of nonpolar solvent carbon tetrachloride: The role of atomic quadrupoles
Chem. Phys. Lett. 365/1-2 27-33 （2002年）
[責任著者・共著者の別]
[46]. Noncoincidence effect of vibrational bands of methanol/CCl4 mixtures and its relation with concentration dependent liquid structures
J. Phys. Chem. A 106/43 10152-10161 （2002年）
[責任著者・共著者の別]
[47]. The role of electrical property derivatives in intermolecular vibrational interactions and their effects on vibrational spectra
Vib. Spectrosc. 29/1-2 205-209 （2002年）
[責任著者・共著者の別]
[48]. Intensity-carrying modes important for vibrational polarizabilities and hyperpolarizabilities of molecules: Derivation from the algebraic properties of formulas and applications
J. Comput. Chem. 23/10 997-1006 （2002年）
[責任著者・共著者の別]
[49]. Density functional theory study on the Raman spectra of negative polarons and negative bipolarons in Na-doped poly(p-phenylene)
J. Phys. Chem. A 106/14 3587-3592 （2002年）
[責任著者・共著者の別]
[50]. Influence of liquid dynamics on the band broadening and time evolution of vibrational excitations for delocalized vibrational modes in liquids
J. Phys. Chem. A 106/14 3281-3286 （2002年）
[責任著者・共著者の別]
[51]. Extended dipole-induced dipole mechanism for generating Raman and optical Kerr effect intensities of low-frequency dynamics in liquids
Chem. Phys. Lett. 353/5-6 435-442 （2002年）
[責任著者・共著者の別]
[52]. Field-modulating modes of solvents for describing electrostatic intermolecular vibrational interactions in solution
J. Phys. Chem. A 106/7 1167-1172 （2002年）
[責任著者・共著者の別]
[53]. Vibrational polarization and opsin shift of retinal Schiff bases: Theoretical study
J. Am. Chem. Soc. 124/31 9272-9277 （2002年）
[責任著者・共著者の別]
[54]. Intensity-carrying vibrational modes important for nonlinear optical properties derived from algebraic properties of intensity formulas
Nonlinear Optics 26/1-3 123 （2000年）
[責任著者・共著者の別]
[55]. Ultrafast anisotropy decay of coherent excitations and the noncoincidence effect for delocalized vibrational modes in liquids
Chem.Phys.Lett. 323/5 6 （2000年）
[責任著者・共著者の別]
[56]. Model Hamiltonian approach to the infrared intensities of charged conjugated pi-electron systems
J. Phys. Chem. A 104/2 413 （2000年）
[責任著者・共著者の別]
[57]. Vibrational modes and electronic structural changes generating infrared intensities in charged conjugated pi-electron systems : A case study on the chrysene radical cation
Vib.Spectrosc. 24/1 3 （2000年）
[責任著者・共著者の別]
[58]. Vibrational spectra and structures of long-chain streptocyanine dyes : Effects of electron-vibration interactions and vibrational polarizabilities
J.Phys.Chem.A 104/47 11203 （2000年）
[責任著者・共著者の別]
[59]. Basis set dependence of the vibrational wavenumbers of the out-of-plane modes of conjugated pi-electron ring systems
J.Mol.Struct.(Theochem) 500/ 311 （2000年）
[責任著者・共著者の別]
[60]. Comment on'Evidence of quantum correlation effects of protons and deuterons in Raman spectra of liquid H2O-D2O'
Phys.Rev.Lett. 84/22 5236 （2000年）
[責任著者・共著者の別]
[61]. Low-wavenumber vibrational dynamics of liquid formamide and N-methylformamide : Molecular dynamics and instantaneous normal mode analysis
J. Phys. Chem. A 104/18 4174 （2000年）
[責任著者・共著者の別]
[62]. Cooperative effect in hydrogen bonding of N-methylacetamide in carbon tetracholride solution confirmed by NMR and IR spectroscopies
Spectrochim. Acta A 56/1 137 （2000年）
[責任著者・共著者の別]
[63]. Infrared intensity-carrying modes and electron-vibration interactions in the radical cations of polycyclic aromatic hydrocarbons
J. Phys. Chem. A 103/28 5557 （1999年）
[責任著者・共著者の別]
[64]. A model Hamiltonian for examining the infrared intensities of charged conjugated pi-electron systems : Application to the triphenylene radical cation
Chem. Phys. Lett. 306/5-6 381 （1999年）
[責任著者・共著者の別]
[65]. Concentration dependence of the band profile parameters for the nu-3(12C=0) Raman band of acetone in acetone-CC14 binary mixtures. Experimental and Monte Carlo simulation results and their interpretation
J. Chem. Phys. 110/20 10076 （1999年）
[責任著者・共著者の別]
[66]. Liquid structures and the infrared and isotropic/anisotropic Raman noncoincidence in liquid methanol, a methanol-LiCl solution, and a solvated electron in methanol : Molecular dynamics and ab initio molecular orbital studies
J. Phys. Chem. A 103/15 2843 （1999年）
[責任著者・共著者の別]
[67]. 振動スペクトルのノンコインシデンス効果と液体の構造
分光研究 48/3 101 （1999年）
[責任著者・共著者の別]
[68]. Ab initio molecular orbital study of the amide I vibrational interactions between the peptide groups in di- and tripeptides and considerations on the conformation of the extended helix
JOURNAL OF RAMAN SPECTROSCOPY 29/1 81-86 （1998年）
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[69]. Vibrational analysis of a strongly correlated system, pentamethine streptocyanine dye, based on observed infrared and Raman spectra and density functional calculations
J. Phys. Chem. A 102/43 8413 （1998年）
[責任著者・共著者の別]
[70]. Raman intensities induced by electrostatic intermolecular interaction and related nonlinear optical properties of a conjugated pi-electron system : A theoretical study
J. Phys. Chem. A 102/43 8422 （1998年）
[責任著者・共著者の別]
[71]. Effects of intermolecular hydrogen-bonding interactions on the amide I mode of N-methylacetamide : Matrix-isolation infrared studies and ab initio molecular orbital calculations
J. Phys. Chem. B 102/1 309 （1998年）
[責任著者・共著者の別]
[72]. Intermolecular hydrogen bonding and low-wavenumber vibrational spectra of formamide, N-methylformamide, and N-methylacetamide in the liquid state
International Journal of Quantum Chemistry 70/2 241 （1998年）
[責任著者・共著者の別]
[73]. The non-coincidence effect in highly diluted acetone-CCl4 binary mixtures. II. Experimental, theoretical and Monte Carlo simulation results
Molecular Physics 94/5 821 （1998年）
[責任著者・共著者の別]
[74]. Effects of hydration on the structure, vibrational wavenumbers, vibrational force field, and resonance Raman intensities of N-methylacetamide
Journal of Raman Spectroscopy 29/6 537 （1998年）
[責任著者・共著者の別]
[75]. Density functional crystal orbital study on the structures and energetics of polyacetylene isomers
Phys. Rev. B 57/19 11994 （1998年）
[責任著者・共著者の別]
[76]. Density functional study on the structures and vibrational spectra of the radical anion and cation of biphenyl
Journal of Molecular Structure(Theochem) 424/3 225 （1998年）
[責任著者・共著者の別]
[77]. Liquid structure, infrared and isotropic/anisotropic Raman noncoincidence of the amide I band, and low-wavenumber vibrational spectra of liquid formamide : Molecular dynamics and ab initio molecular orbital studies
J. Phys. Chem. B 102/1 315 （1998年）
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[78]. Electron-vibration interaction and the Raman intensities of a quinoid molecule
Journal of Molecular Structure 413-414/ 73 （1997年）
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[79]. Vibrational analyses of the tetrathiosquarate ion based on ab initio molecular orbital and density functional calculations : Effect of the Jahn-Teller distortion in the excited electronic state on Raman intensities
Chem. Phys. 216/1 2 （1997年）
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[80]. Charge fluxes and changes in electronic structures as the origin of infrared intensities in the ground and excited electronic states
J. Phys. Chem. B 101/3 466 （1997年）
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[81]. Effects of electron correlation on the vibrational force fields of conjugated π-electron systems : comparison of the cyclobutadiene dication and benzene as examples of four- and six-membered rings
Journal of Molecular Structure 376/ 317 （1996年）
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[82]. Changes in the electronic structures of trans-polyenes in the 11Ag and 21Ag states induced by molecular vibrations
Chem. Phys. Lett. 260/1 2 （1996年）
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[83]. Vibrational analysis of a Schiff base based on ab initio molecular orbital calculations : Effect of electron correlation on the C=N stretching force constant and the origin of the shift of the C=N stretching frequency upon protonation and hydrogen-bond formation
J. Phys. Chem. 100/38 15328 （1996年）
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[84]. Infrared intensities of the C=C and C=N stretching modes of conjugated Schiff bases. A study based on ab initio molecular orbital calculations
J. Phys. Chem. 100/38 15335 （1996年）
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[85]. Inelastic neutron scattering from trans-polyacetylene
Chem. Phys. Lett. 261/3 241 （1996年）
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[86]. Vibrational analysis of the radical anion and cation of biphenyl based on density functional calculations
Chem. Lett. 1996/10 913 （1996年）
[責任著者・共著者の別]
[87]. Stereostructural and vibrational analyses of cis-polyacetylene based on density functional calculations of oligoenes
Bull. Chem. Soc. Jpn. 69/11 3089 （1996年）
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[88]. Correlation between the vibrational frequencies of the carboxylate group and the types of its coordination to a metal ion : An ab initio molecular orbital study
J. Phys. Chem. 100/51 19812 （1996年）
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[89]. Theoretical analyses of the amide I infrared bands of globular proteins
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[90]. Re-examination of the vibrational force fields of trans- and cis-1,3,5-hexatriene : effect of electron correlation, transferability of scale factors and correspondence of normal modes between the two isomers
VIBRATIONAL SPECTROSCOPY 8/2 205-214 （1995年） [査読] 有
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[91]. Raman noncoincidence effect and intermolecular interactions in liquid dimethyl sulfoxide : Simulations based on the transition dipole coupling mechanism and liquid structures derived by Monte Carlo method
Bull. Chem. Soc. Jpn. 68/1 128 （1995年）
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[92]. Vibrational analysis of the squarate ion based on ab initio molecular orbital calculations. A practical method to calculate vibrational force fields of non-bond-alternating conjugated molecules
J. Mol. Struct. (Theochem) 334/1 15 （1995年）
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[93]. Consideration on the definition of molecular symmetry coordinates, calculation of physically meaningful force constants, and the use of appropriate formulae in normal coordinate analyses of ring molecules : a case study on the in-plane force field of benzene
Journal of Molecular Structure 352/353/ 465 （1995年）
[責任著者・共著者の別]
[94]. Vibrational analyses of trans, trans-1,3,5,7-octatetraene and all-trans-1,3,5,7,9-decapentaene based on ab initio molecular orbital calculations and observed infrared and Raman spectra
Journal of Chemical Physics 103/20 8955 （1995年）
[責任著者・共著者の別]
[95]. Vibrational analyses of trans-polyacetylene based on ab initio second-order Mo11er-Plesset perturbation calculations of trans-oligoenes
Journal of Chemical Physics 103/20 8964 （1995年）
[責任著者・共著者の別]
[96]. Analysis of the absorption spectrum (11Bu←11Ag) and resonance Raman excitation profiles of trans-1,3,5-hexatriene based on ab initio molecular orbital calculations
JOURNAL OF CHEMICAL PHYSICS 101/6 4496-4504 （1994年） [査読] 有
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[97]. Approximate theories of the Raman non-coincidence effect : a critical evaluation in the case of liquid acetone
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 311/0 199-203 （1994年）
[責任著者・共著者の別] 責任著者
[著者] H. Torii
[98]. Local order and transition dipole coupling in liquid methanol and acetone as the origin of the Raman noncoincidence effect
JOURNAL OF CHEMICAL PHYSICS 99/11 8459-8465 （1993年）
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[99]. Infrared intensities of vibrational modes of an alpha-helical polypeptide : Calculations based on the equilibrium charge/charge flux(ECCF)model
JOURNAL OF MOLECULAR STRUCTURE 300/0 171-179 （1993年）
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[100]. Correlation between red shifts and widths of the 0-0 band in the absorption spectra (11Bu <- 11Ag) of all-trans-beta-carotene in solution
JOURNAL OF CHEMICAL PHYSICS 98/5 3697-3702 （1993年）
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[101]. Application of the three-dimensional doorway-state theory to analyses of the amide-I infrared bands of globular proteins
JOURNAL OF CHEMICAL PHYSICS 97/1 92-98 （1992年）
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[102]. Three-dimensional doorway-state theory for analyses of absorption bands of many-oscillator systems
JOURNAL OF CHEMICAL PHYSICS 97/1 86-91 （1992年）
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[103]. Model calculations on the amide-I infrared bands of globular proteins
JOURNAL OF CHEMICAL PHYSICS 96/5 3379-3387 （1992年）
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[104]. Effect of correlation between electronic and vibrational dephasing processes on Raman band shapes
JOURNAL OF RAMAN SPECTROSCOPY 22/11 601-605 （1991年）
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[105]. Effects of collision-induced perturbation of atomic motions on the vibrational relaxation of polyatomic molecules
JOURNAL OF CHEMICAL PHYSICS 93/2 1054-1060 （1990年）
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[106]. Vibrational structure and temperature dependence of the electronic absorption (11Bu <- 11Ag) of all-trans-beta-carotene
JOURNAL OF PHYSICAL CHEMISTRY A 94/1 227-231 （1990年）
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi
[107]. Second-derivative method : Application to vibrational spectroscopy in excited electronic states
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 45/11 1173-1178 （1989年）
[責任著者・共著者の別] 共著者
[著者] [責任著者]H. Torii [共著者]M. Tasumi |