H. Torii

发表

Low-frequency in-plane skeletal vibrations of polyene molecules and their amplitudes in the solid state

M. Tasumi, H. Torii, H. Yoshida, 1992 .

The influence of alkaline earth ions on the structural organization of acetone probed by the noncoincidence effect of the nu(C=O) band: experimental and quantum chemical results.

H. Torii, M. Musso, M. Giorgini, 2010, Physical chemistry chemical physics : PCCP.

Second-derivative method: Application to vibrational spectroscopy in excited electronic states

M. Tasumi, H. Torii, 1989 .

Hydrogen order at the surface of ice Ih revealed by vibrational spectroscopy.

S. Yamaguchi, H. Torii, Yuki Nojima, 2020, Chemical communications.

Comparison of different optical processes of the two- dimensional infrared spectroscopy in the effect of intermolecular vibrational coupling calculated in the time domain : The case of liquid N,N-Dimethylformamide

H. Torii, 2006 .

Hidden Halogen-Bonding Ability of Fluorine Manifesting in the Hydrogen-Bond Configurations of Hydrogen Fluoride.

H. Torii, Kento Saito, 2021, The journal of physical chemistry. B.

Dissecting the electric quadrupolar and polarization effects operating in halogen bonding through electron density analysis with a focus on bromine.

H. Torii, Kento Saito, Ryoma Izumi, 2020, The Journal of chemical physics.

Protein-Metal Interactions: Infrared Studies of the Types of Coordination of the Side-Chain Carboxylate Anion to a Metal Cation

M. Tasumi, H. Torii, S. Masuda, 1995 .

Effects of Intermolecular Hydrogen-Bonding Interactions on the Amide I Mode of N-Methylacetamide: Matrix-Isolation Infrared Studies and ab Initio Molecular Orbital Calculations

Hajime Torii, Mitsuo Tasumi, M. Tasumi, 1998 .

Electrostatic origin of the cooperative effect on the CO bond lengths and the amide I vibrational frequencies of the N-methylacetamide oligomers

H. Torii, 2005 .

Correlation of the partial charge-transfer and covalent nature of halogen bonding with the THz and IR spectral changes.

H. Torii, 2019, Physical chemistry chemical physics : PCCP.

The role of atomic quadrupoles in intermolecular electrostatic interactions of polar and nonpolar molecules

H. Torii, 2003 .

Delocalized electrons in infrared intensities

H. Torii, 2014 .

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.

H. Torii, M. Musso, M. Giorgini, 2012, The journal of physical chemistry. B.

Intermolecular charge flux as the origin of infrared intensity enhancement upon halogen-bond formation of the peptide group.

H. Torii, 2010, The Journal of chemical physics.

The Raman non-coincidence effect of the 12CO stretching mode of liquid acetone in chemical and in isotopic mixtures

D. Schiel, H. Torii, M. Musso, 2006 .

Atomic quadrupolar effect in intermolecular electrostatic interactions of chloroalkanes: the cases of chloroform and dichloromethane

H. Torii, 2005 .

The role of electrical property derivatives in intermolecular vibrational interactions and their effects on vibrational spectra

H. Torii, 2002 .

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

M. Tasumi, H. Torii, 1995 .

Density functional study on the structures and vibrational spectra of the radical anion and cation of biphenyl

M. Tasumi, H. Torii, Kazuhiko Furuya, 1998 .

Unified Electrostatic Understanding on the Solvation-Induced Changes in the CN Stretching Frequency and the NMR Chemical Shifts of a Nitrile.

H. Torii, 2016, The journal of physical chemistry. A.

Electron-vibration interaction and the Raman intensities of a quinoid molecule

M. Tasumi, H. Torii, A. Ishikawa, 1997 .

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

S. Hirata, M. Tasumi, H. Torii, 1995 .

Vibrational analyses of trans-polyacetylene based on ab initio second-order Møller-Plesset perturbation calculations of trans-oligoenes

S. Hirata, M. Tasumi, H. Torii, 1995 .

Solvation Structure around the Li+ Ion in Mixed Cyclic/Linear Carbonate Solutions Unveiled by the Raman Noncoincidence Effect

H. Torii, M. Musso, M. Giorgini, 2015 .

Electronic structural basis for the atomic partial charges of planar molecular systems derived from out-of-plane dipole derivatives.

H. Torii, 2015, The journal of physical chemistry. A.

A model Hamiltonian for examining the infrared intensities of charged conjugated π-electron systems: application to the triphenylene radical cation

H. Torii, 1999 .

Vibrational spectra and electronvibration interactions of the naphthalene radical anion Experimental and theoretical study

M. Tasumi, H. Torii, A. Sakamoto, 2004 .

Application of the three-dimensional doorway-state theory to analyses of the amide-I infrared bands of globular proteins

M. Tasumi, H. Torii, 1992 .

Intermolecular hydrogen bonding and low-wave-number vibrational spectra of formamide,N-methylformamide, andN-methylacetamide in the liquid state

M. Tasumi, H. Torii, 1998 .

Effects of collision‐induced perturbation of atomic motions on the vibrational relaxation of polyatomic molecules

M. Tasumi, H. Torii, 1990 .

Time-domain calculations of the polarized Raman spectra, the transient infrared absorption anisotropy, and the extent of delocalization of the OH stretching mode of liquid water.

H. Torii, 2006, The journal of physical chemistry. A.

Inelastic neutron scattering from trans-polyacetylene

S. Hirata, J. Tomkinson, M. Tasumi, 1996 .

Changes in the electronic structures of trans-polyenes in the 1 1Ag and 2 1Ag states induced by molecular vibrations

M. Tasumi, H. Torii, 1996 .

Origin of the High Electrical Conductivity of Neutral [Ni(ptdt)2] (ptdt2- = propylenedithiotetrathiafulvalenedithiolate): A Route to Neutral Molecular Metal

H. Torii, Hisashi Tanaka, A. Kobayashi, 1999 .

Secondary Structure Dependence and Hydration Effect of the Infrared Intensity of the Amide II Mode of Peptide Chains.

H. Torii, Megumi Kawanaka, 2016, The journal of physical chemistry. B.

Infrared Spectra and Hydrogen-Bond Configurations of Water Molecules at the Interface of Water-Insoluble Polymers under Humidified Conditions

S. Nishimura, Y. Ikemoto, H. Torii, 2022, Journal of Physical Chemistry B.

Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction.

Carlos R. Baiz, J. Straub, J. Hirst, 2020, Chemical reviews.

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

Hajime Torii, Masayuki Nara, Mitsuo Tasumi, 1996 .

Intermediate length-scale chirality related to the vibrational circular dichroism intensity enhancement upon fibril formation in a gelation process.

H. Torii, Hisako Sato, 2018, Physical chemistry chemical physics : PCCP.

Vibrational Interactions in the Amide I Subspace of the Oligomers and Hydration Clusters of N-Methylacetamide

H. Torii, 2004 .

Amide I Vibrational Properties Affected by Hydrogen Bonding Out-of-Plane of the Peptide Group.

H. Torii, 2015, The journal of physical chemistry letters.

Vibrational polarizabilities of hydrogen-bonded water

H. Torii, 2013 .

Mechanism of the Secondary Structure Dependence of the Infrared Intensity of the Amide II Mode of Peptide Chains

H. Torii, 2012 .

Nature of vibrational frequency modulations and the related one- and two-dimensional vibrational spectral features analysed for the amide I mode of tetraalanine in aqueous solution

H. Torii, 2009 .

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

M. Tasumi, H. Torii, 1998 .

Model calculations on the amide-I infrared bands of globular proteins

Hajime Torii, H. Torii, 1992, Other Conferences.

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

M. Tasumi, H. Torii, 1995 .

Atomic quadrupolar effect in the methanol–CCl4 and water–CCl4 intermolecular interactions

H. Torii, 2004 .

The effect of microscopic inhomogeneities in acetone/methanol binary liquid mixtures observed through the Raman spectroscopic noncoincidence effect

H. Torii, M. Musso, M. Giorgini, 2009 .

Modulations of vibrational frequencies and other vibrational properties of the CO stretching mode of liquid acetone

H. Torii, M. Musso, M. Giorgini, 2007 .

Local order and transition dipole coupling in liquid methanol and acetone as the origin of the Raman noncoincidence effect

M. Tasumi, H. Torii, 1993 .

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

M. Tasumi, H. Torii, 1995 .

Singular value decomposition analysis of the electron density changes occurring upon electrostatic polarization of water

H. Torii, 2022, RSC advances.

Intermolecular charge fluxes and far-infrared spectral intensities of liquid formamide.

H. Torii, 2018, Physical chemistry chemical physics : PCCP.

Extended nature of the molecular dipole of hydrogen-bonded water.

H. Torii, 2013, The journal of physical chemistry. A.

Intermolecular electron density modulations in water and their effects on the far-infrared spectral profiles at 6 THz.

H. Torii, 2011, The journal of physical chemistry. B.

Intra- and intermolecular charge fluxes induced by the OH stretching mode of water and their effects on the infrared intensities and intermolecular vibrational coupling.

H. Torii, 2010, The journal of physical chemistry. B.

Effects of intermolecular vibrational coupling and liquid dynamics on the polarized Raman and two-dimensional infrared spectral profiles of liquid N,N-dimethylformamide analyzed with a time-domain computational method.

H. Torii, 2006, The journal of physical chemistry. A.

Time-domain calculations of the polarized Raman and two-dimensional infrared spectra of liquid N,N-dimethylformamide

H. Torii, 2005 .

Model calculations on the amide‐I infrared bands of globular proteins

H. Torii, 1992 .

Theoretical analysis and modeling of the electrostatic responses of the vibrational and NMR spectroscopic properties of the cyanide anion

H. Torii, 2019, Journal of Molecular Liquids.

New twist in the theories on the secondary structure dependence and hydration effect of the vibrational properties of peptides

H. Torii, 2016 .

Roles of the scalar and vector components of the solvation effects on the vibrational properties of hydrogen- or halogen-bond accepting stretching modes.

H. Torii, Saori Noge, 2016, Physical chemistry chemical physics : PCCP.

RESPONSES OF MOLECULAR VIBRATIONS TO INTERMOLECULAR ELECTROSTATIC INTERACTIONS AND THEIR EFFECTS ON VIBRATIONAL SPECTROSCOPIC FEATURES

H. Torii, 2006 .

Effects of hydration on the structure, vibrational wavenumbers, vibrational force field and resonance raman intensities of N-methylacetamide

M. Tasumi, H. Torii, Tomoaki Tatsumi, 1998 .

Infrared intensities of vibrational modes of an α-helical polypeptide: Calculations based on the equilibrium charge/charge flux (ECCF) model

M. Tasumi, H. Torii, 1993 .

Merged and separate band profiles arising from resonantly coupled vibrational modes of liquid mixtures: theoretical study

H. Torii, Y. Osada, Maki Iwami, 2008 .

Computational Methods for Analyzing the Intermolecular Resonant Vibrational Interactions in Liquids and the Noncoincidence Effect of Vibrational Spectra

H. Torii, 2004 .

Time-domain theoretical analysis of the noncoincidence effect, diagonal frequency shift, and the extent of delocalization of the C=O stretching mode of acetone/dimethyl sulfoxide binary liquid mixtures.

H. Torii, M. Musso, M. Giorgini, 2005, The journal of physical chemistry. A.

Concentration-dependent frequency shifts and Raman spectroscopic noncoincidence effect of the C=O stretching mode in dipolar mixtures of acetone/dimethyl sulfoxide. Experimental, theoretical, and simulation results.

H. Torii, M. Musso, M. Giorgini, 2005, The journal of physical chemistry. A.

Approximate theories of the Raman non-coincidence effect : a critical evaluation in the case of liquid acetone

H. Torii, 1994 .

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

M. Tasumi, H. Torii, 1998 .

Stereostructural and Vibrational Analyses of cis-Polyacetylene Based on Density Functional Calculations of Oligoenes

S. Hirata, M. Tasumi, H. Torii, 1996 .

Use of Group Theory for Band Assignment and Structure Correlation

M. Tasumi, H. Torii, A. Sakamoto, 2006 .

Time-domain calculations of the infrared and polarized Raman spectra of tetraalanine in aqueous solution.

H. Torii, 2007, The journal of physical chemistry. B.

Noncoincidence Effect of Vibrational Bands of Methanol/CCl4 Mixtures and Its Relation with Concentration-Dependent Liquid Structures

H. Torii, M. Musso, P. Ottaviani, 2002 .

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

H. Torii, 1999 .

Analysis of the absorption spectrum (1 1Bu←1 1Ag) and resonance Raman excitation profiles of trans‐1,3,5‐hexatriene based on ab initio molecular orbital calculations

M. Tasumi, H. Torii, 1994 .

Comparison of the Raman spectrum of trans-stilbene in the S1 state calculated by the CIS method and the spectra observed under resonant and off-resonant conditions

M. Tasumi, H. Torii, A. Sakamoto, 2006 .

Basis set dependence of the vibrational wavenumbers of the out-of-plane modes of conjugated π-electron ring systems

M. Tasumi, H. Torii, A. Ishikawa, 2000 .

Concentration dependence of the band profile parameters for the ν3(12C=O) Raman band of acetone in acetone–CCl4 binary mixtures: Experimental and Monte Carlo simulation results and their interpretation

H. Torii, M. Musso, M. Giorgini, 1999 .

Strategy for Modeling the Electrostatic Responses of the Spectroscopic Properties of Proteins.

H. Torii, 2018, The journal of physical chemistry. B.

Vibrational modes and electronic structural changes generating infrared intensities in charged conjugated π-electron systems: a case study on the chrysene radical cation

H. Torii, 2000 .

Scheme of detecting microscopic inhomogeneity in binary liquid mixtures utilizing resonantly coupled vibrational modes.

H. Torii, 2007, The Journal of chemical physics.

Density Functional Theory Study on the Raman Spectra of Negative Polarons and Negative Bipolarons in Na-Doped Poly(p-phenylene)†

K. Honda, M. Tasumi, H. Torii, 2002 .

Molecular Conductors Based on peri‐Ditellurium‐Bridged Donors,2,3‐DMTTeA and TMTTeN

K. Takimiya, H. Torii, H. Fujiwara, 2005 .

Correlation between redshifts and widths of the 0–0 band in the absorption spectra (1 1Bu←1 1Ag) of all‐trans‐β‐carotene in solution

M. Tasumi, H. Torii, 1993 .

On the origin of the 1602 cm–1 Raman band of yeasts; contribution of ergosterol

Hajime Torii, Liang-da Chiu, Toshihide Kobayashi, 2012, Journal of biophotonics.

Dynamical behavior of molecular partial charges implied by the far-infrared spectral profile of liquid water

H. Torii, 2017, Chemical Physics.

Properties of halogen atoms related to the electrostatic origin of halogen bonding: Basic aspects and some applications

H. Torii, 2012 .

Properties of halogen atoms for representing intermolecular electrostatic interactions related to halogen bonding and their substituent effects

Masaki Yoshida, Hajime Torii, H. Torii, 2010, J. Comput. Chem..

What electron densities and their changes tell us about intermolecular interactions

H. Torii, 2022, INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING ICCMSE 2021.

Role of Intermolecular Charge Fluxes in the Hydrogen-Bond-Induced Frequency Shifts of the OH Stretching Mode of Water.

H. Torii, Ryota Ukawa, 2021, The journal of physical chemistry. B.

Cooperative Contributions of the Intermolecular Charge Fluxes and Intramolecular Polarizations in the Far-Infrared Spectral Intensities of Liquid Water.

H. Torii, 2014, Journal of chemical theory and computation.

Vibrational Analysis of the Radical Anion and Cation of Biphenyl Based on Density Functional calculations

M. Tasumi, H. Torii, Y. Furukawa, 1996 .

Ultrafast anisotropy decay of coherent excitations and the non-coincidence effect for delocalized vibrational modes in liquids

H. Torii, 2000 .

Extended dipole-induced dipole mechanism for generating Raman and optical Kerr effect intensities of low-frequency dynamics in liquids

H. Torii, 2002 .

Low-Wavenumber Vibrational Dynamics of Liquid Formamide and N-Methylformamide: Molecular Dynamics and Instantaneous Normal Mode Analysis

M. Tasumi, H. Torii, 2000 .

THE NON-COINCIDENCE EFFECT IN HIGHLY DILUTED ACETONE-CCL4 BINARY MIXTURES : II. EXPERIMENTAL, THEORETICAL AND MONTE CARLO SIMULATION RESULTS

H. Torii, M. Musso, M. Giorgini, 1998 .

Three‐dimensional doorway‐state theory for analyses of absorption bands of many‐oscillator systems

M. Tasumi, H. Torii, 1992 .

Extent of Delocalization of Vibrational Modes in Liquids as a Result of Competition between Diagonal Disorder and Off-Diagonal Coupling

H. Torii, 2004 .

Amide I infrared spectral features characteristic of some untypical conformations appearing in the structures suggested for amyloids.

H. Torii, 2008, Journal of Physical Chemistry B.

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

M. Tasumi, H. Torii, 1995 .

Intensity‐carrying modes important for vibrational polarizabilities and hyperpolarizabilities of molecules: Derivation from the algebraic properties of formulas and applications

HAJIME TORII, H. Torii, 2002, J. Comput. Chem..

Secondary Structure Dependence and Hydration Effect of the Infrared Intensity of the Amide II Mode of Peptide Chains.

H. Torii, Megumi Kawanaka, 2016, The journal of physical chemistry. B.

Effect of correlation between electronic and vibrational dephasing processes on Raman band shapes

M. Tasumi, H. Torii, 1991 .

Vibrational structure and temperature dependence of the electronic absorption (11Bu .rarw. 11Ag) of all-trans-.beta.-carotene

M. Tasumi, H. Torii, 1990 .

Modeling of the Hydrogen Bond-Induced Frequency Shifts of the HOH and HOD Bending Modes of Water.

H. Torii, Tomoka Akazawa, 2024, The journal of physical chemistry. A.

Roles of electrostatics and intermolecular electronic motions in the structural and spectroscopic features of hydrogen- and halogen-bonded systems

H. Torii, 2024, Pure and Applied Chemistry.

Asymmetry of the Electrostatic Environment as the Origin of the Symmetry Breaking Effect of the Nitrate Ion in Aqueous Solution.

H. Torii, Kao Watanabe, 2023, The journal of physical chemistry. B.