All Stories

  1. Enhancement effect on the chemiluminescence of acridinium esters under neutral conditions

    Article • Luminescence, November 2017, Wiley

    Shinkoh NANBU

  2. Theoretical study of electronic properties and isotope effects in the UV absorption spectrum of disulfur

    Article • Chemical Physics, May 2017, Elsevier

    Shinkoh NANBU

  3. Clarification of nonadiabatic chemical dynamics by the Zhu-Nakamura theory of nonadiabatic transition: from tri-atomic systems to reactions in solutions

    Article • International Reviews in Physical Chemistry, March 2017, Taylor & Francis

    Shinkoh NANBU

  4. Nonadiabatic ab initio molecular dynamics with PME-ONIOM scheme of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5- cis -hexatriene in solution phase

    Article • Chemical Physics, March 2017, Elsevier

    Shinkoh NANBU

  5. Strongly Chemiluminescent Acridinium Esters under Neutral Conditions: Synthesis, Properties, Determination, and Theoretical Study

    Article • The Journal of Organic Chemistry, February 2017, American Chemical Society (ACS)

    Shinkoh NANBU

  6. The Nonadiabatic Trajectory

    Article • January 2017, Elsevier

    Shinkoh NANBU

  7. Dinuclear Ruthenium(III)–Ruthenium(IV) Complexes, Having a Doubly Oxido-Bridged and Acetato- or Nitrato-Capped Framework

    Article • Inorganic Chemistry, July 2016, American Chemical Society (ACS)

    Shinkoh NANBU

  8. Development of semiclassical molecular dynamics simulation method

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Shinkoh NANBU

  9. Application of particle-mesh Ewald summation to ONIOM theory

    Article • Chemical Physics, November 2015, Elsevier

    Shinkoh NANBU

  10. Electronically nonadiabatic wave packet propagation using frozen Gaussian scattering

    Article • The Journal of Chemical Physics, September 2015, American Institute of Physics

    Shinkoh NANBU

  11. Nonadiabatic ab initio molecular dynamics of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5-cis-hexatriene

    Article • Chemical Physics, September 2015, Elsevier

    Shinkoh NANBU

  12. Development of efficient time-evolution method based on three-term recurrence relation

    Article • The Journal of Chemical Physics, May 2015, American Institute of Physics

    Shinkoh NANBU

  13. Theoretical study of ultraviolet induced photodissociation dynamics of sulfuric acid

    Article • Chemical Physics, May 2015, Elsevier

    Shinkoh NANBU

  14. Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors

    Article • Organometallics, October 2014, American Chemical Society (ACS)

    Shinkoh NANBU

  15. Unsymmetric indolylmaleimides: Synthesis, photophysical properties and amyloid detection

    Article • Journal of Photochemistry and Photobiology A Chemistry, September 2014, Elsevier

    Shinkoh NANBU

  16. Nonadiabatic calculations of ultraviolet absorption cross section of sulfur monoxide: Isotopic effects on the photodissociation reaction

    Article • The Journal of Chemical Physics, January 2014, American Institute of Physics

    Shinkoh NANBU

  17. Effects of Cyclodextrins on Intramolecular Photoinduced Electron Transfer in a Boronic Acid Fluorophore

    Article • Analytical Sciences, January 2014, Japan Society for Analytical Chemistry

    Professor Takashi Hayashita, Shinkoh NANBU

  18. Real-Time TDHF/TDDFT Calculation with Efficient Time-Evolution Based on Three-Term Recurrence Relation

    Article • Journal of Computer Chemistry Japan, January 2014, Society of Computer Chemistry Japan

    Shinkoh NANBU

  19. Photoabsorption cross-section measurements of32S,33S,34S, and36S sulfur dioxide for theB1B1-X1A1absorption band

    Article • Journal of Geophysical Research Atmospheres, December 2012, American Geophysical Union (AGU)

    Shinkoh NANBU

  20. THEORETICAL STUDY OF PHOTO-PHYSICAL PROCESSES IN 2-ARYL SUBSTITUTED INDOLES

    Article • Journal of Theoretical and Computational Chemistry, December 2012, World Scientific Pub Co Pte Lt

    Shinkoh NANBU

  21. QM/MM Trajectory Surface Hopping Approach to Photoisomerization of Rhodopsin and Isorhodopsin: The Origin of Faster and More Efficient Isomerization for Rhodopsin

    Article • The Journal of Physical Chemistry, July 2012, American Chemical Society (ACS)

    Shinkoh NANBU

  22. First principle study of proton transfer in the green fluorescent protein (GFP): Ab initio PES in a cluster model

    Article • Computational and Theoretical Chemistry, June 2012, Elsevier

    Shinkoh NANBU

  23. Theoretical study of photo-physical properties of indolylmaleimide derivatives

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Yi Zhao, Shinkoh NANBU

  24. Photochemical dynamics of indolylmaleimide derivatives

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Shinkoh NANBU

  25. A Nonadiabatic Ab Initio Dynamics Study on Rhodopsin and Its Analog Isorhodopsin: Chemical Dynamics Reasons behind Selection of Rhodopsin by Life

    Article • Chemistry Letters, December 2011, The Chemical Society of Japan

    Shinkoh NANBU

  26. Isomerization reaction between linear AlNC and AlCN including the $\tilde X$X̃ 1Σ+ and $\tilde A$Ã 1Π states studied by three-dimensional wave packet propagation

    Article • The Journal of Chemical Physics, July 2011, American Institute of Physics

    Shinkoh NANBU

  27. Characterization of theEIsomer of Tetrasubstituted [5]Cumulene and Trapping of theZIsomer as a Zirconocene Complex

    Article • Organometallics, July 2011, American Chemical Society (ACS)

    Shinkoh NANBU

  28. Fluorescence properties of 2-aryl substituted indoles

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, February 2011, Elsevier

    Shinkoh NANBU

  29. ChemInform Abstract: Future Perspectives of Nonadiabatic Chemical Dynamics

    Article • ChemInform, December 2010, Wiley

    Shinkoh NANBU

  30. Isotopomer Fractionation in the UV Photolysis of N2O: 3. 3D Ab Initio Surfaces and Anharmonic Effects†

    Article • The Journal of Physical Chemistry A, September 2010, American Chemical Society (ACS)

    Shinkoh NANBU

  31. Nonadiabatic ab Initio Dynamics of a Model Protonated Schiff Base of 9-cis Retinal

    Article • The Journal of Physical Chemistry A, August 2010, American Chemical Society (ACS)

    Shinkoh NANBU

  32. Control of Chemical Dynamics by Lasers: Theoretical Considerations

    Article • The Journal of Physical Chemistry A, June 2010, American Chemical Society (ACS)

    Shinkoh NANBU

  33. Electronic Spectra of Two Long-Lived Photoproducts: Double-Proton Transfer in 7-Hydroxyquinoline Dimer in a 2-Methyltetrahydrofuran Glass Matrix

    Article • The Journal of Physical Chemistry A, April 2010, American Chemical Society (ACS)

    Shinkoh NANBU

  34. Theoretical studies of absorption cross sections for the C̃ B12-X̃ A11 system of sulfur dioxide and isotope effects

    Article • The Journal of Chemical Physics, January 2010, American Institute of Physics

    Shinkoh NANBU

  35. Fluorescence and chemiluminescence properties of indolylmaleimides: experimental and theoretical studies

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Shinkoh NANBU

  36. Future perspectives of nonadiabatic chemical dynamics

    Article • Chemical Science, January 2010, Royal Society of Chemistry

    Shinkoh NANBU

  37. First-Principle Study of Atomic Hydrogen Interaction with a Fluorinated Corannulene Radical

    Article • Australian Journal of Chemistry, January 2010, CSIRO Publishing

    Shinkoh NANBU

  38. Intramolecular energy transfer in 3-amino-N-(7′-methoxy-4′-methylcoumaryl)phthalimide

    Article • Journal of Photochemistry and Photobiology A Chemistry, November 2009, Elsevier

    Shinkoh NANBU

  39. Theoretical Study of Photophysical Properties of Bisindolylmaleimide Derivatives

    Article • The Journal of Physical Chemistry A, July 2009, American Chemical Society (ACS)

    Shinkoh NANBU

  40. Chemiluminescence enhancement of 1,2-di[3,4,5-tri(3,4,5-trihydroxybenzoyloxy)benzoyloxy] benzene in the presence of quaternary ammonium ions

    Article • Luminescence, July 2009, Wiley

    Shinkoh NANBU

  41. Carbonyl sulfide isotopologues: Ultraviolet absorption cross sections and stratospheric photolysis

    Article • The Journal of Chemical Physics, July 2009, American Institute of Physics

    Shinkoh NANBU

  42. Nonadiabatic ab Initio Dynamics of Two Models of Schiff Base Retinal†

    Article • The Journal of Physical Chemistry A, April 2009, American Chemical Society (ACS)

    Shinkoh NANBU

  43. Quantum mechanical study of atomic hydrogen interaction with a fluorinated boron-substituted coronene radical

    Article • Journal of Physics Condensed Matter, March 2009, Institute of Physics Publishing

    Shinkoh NANBU

  44. INITIAL ROTATIONAL QUANTUM STATE EXCITATION AND ISOTOPIC EFFECTS FOR THE O(1D)+HCl → OH+Cl (OCl+H) REACTION

    Article • Journal of Theoretical and Computational Chemistry, January 2009, World Scientific Pub Co Pte Lt

    Shinkoh NANBU

  45. Chemiluminescence Change of Polyphenol Dendrimers with Different Core Molecules

    Article • Organic Letters, November 2008, American Chemical Society (ACS)

    Shinkoh NANBU

  46. Quantum Mechanical Calculation of Energy Dependence of OCl/OH Product Branching Ratio and Product Quantum State Distributions for the O(1D) + HCl Reaction on All Three Contributing Electronic State Potential Energy Surfaces

    Article • The Journal of Physical Chemistry A, August 2008, American Chemical Society (ACS)

    Shinkoh NANBU

  47. Quantum Calculation of Ro-vibrational States:  Methodology and DOCl Application Results

    Article • The Journal of Physical Chemistry A, May 2008, American Chemical Society (ACS)

    Shinkoh NANBU

  48. Raman spectroscopic study on isomers of photochromic 1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene in crystal and stability of the closed-ring forms in the open-ring forms

    Article • Chemical Physics Letters, March 2008, Elsevier

    Shinkoh NANBU

  49. Collision Energy Dependence of the O(1D) + HCl → OH + Cl(2P) Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on Ab Initio Potential Energy Surfaces

    Article • The Journal of Physical Chemistry A, February 2008, American Chemical Society (ACS)

    Shinkoh NANBU

  50. Quantum dynamical study of the O(D1)+HCl reaction employing three electronic state potential energy surfaces

    Article • The Journal of Chemical Physics, January 2008, American Institute of Physics

    Shinkoh NANBU

  51. Ab initio study of sulfur isotope fractionation in the reaction of OCS with OH

    Article • Chemical Physics Letters, January 2008, Elsevier

    Shinkoh NANBU

  52. Bisindolylmaleimides with Large Stokes Shift and Long-Lasting Chemiluminescence Properties

    Article • Organic Letters, August 2007, American Chemical Society (ACS)

    Shinkoh NANBU

  53. Remarkable suppression of the excited-state double-proton transfer in the 7-azaindole dimer due to substitution of the dimethylamino group studied by electronic spectroscopy in the gas phase

    Article • Chemical Physics Letters, August 2007, Elsevier

    Shinkoh NANBU

  54. The vibrational structure of the X̃A11−ÃB11 and ÃB11−B̃A11 band systems of GeH2∕GeD2 based on global potential energy surfaces

    Article • The Journal of Chemical Physics, January 2007, American Institute of Physics

    Shinkoh NANBU

  55. Laser control of reactions of photoswitching functional molecules

    Article • The Journal of Chemical Physics, July 2006, American Institute of Physics

    Shinkoh NANBU

  56. Theoretical transition probabilities for the ÃΠ1-X̃Σ+1 system of AlNC and AlCN isomers based on global potential energy surfaces

    Article • The Journal of Chemical Physics, June 2006, American Institute of Physics

    Shinkoh NANBU

  57. Theoretical study of water-induced oxidation reaction on a bare Si surface: H2O+Si(100)–(2×1)

    Article • Chemical Physics Letters, June 2006, Elsevier

    Shinkoh NANBU

  58. Atomic hydrogen transmission through five-membered carbon ring by the mechanism of non-adiabatic tunneling

    Article • Chemical Physics, May 2006, Elsevier

    Shinkoh NANBU

  59. HOCl Ro-Vibrational Bound-State Calculations for Nonzero Total Angular Momentum†

    Article • The Journal of Physical Chemistry A, April 2006, American Chemical Society (ACS)

    Shinkoh NANBU

  60. Isotope effects in the dissociation of the B̃A11 state of SiH2, SiHD, and SiD2 using three-dimensional wave packet propagation

    Article • The Journal of Chemical Physics, March 2006, American Institute of Physics

    Shinkoh NANBU

  61. Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization

    Article • The Journal of Chemical Physics, February 2006, American Institute of Physics

    Shinkoh NANBU

  62. H atom-induced oxidation reaction on water-terminated Si surface, 2H+H2O/Si(100)–(2×1): A theoretical study

    Article • Chemical Physics Letters, September 2005, Elsevier

    Shinkoh NANBU

  63. Ab initio calculated structures of conformers for 1,3-dimethoxy-p-tert-butylcalix[4]crown-5-ether complexed with potassium cation

    Article • Journal of Molecular Structure THEOCHEM, May 2005, Elsevier

    Shinkoh NANBU

  64. Vibrational energies for the X̃A11, ÃB11, and B̃A11 states of SiH2∕SiD2 and related transition probabilities based on global potential energy surfaces

    Article • The Journal of Chemical Physics, April 2005, American Institute of Physics

    Shinkoh NANBU

  65. THEORETICAL TRANSITION PROBABILITIES FOR THE $\tilde{A}^{2}A_{1} -\tilde{X}^{2}B_{1}$ SYSTEM OF H2O+ AND D2O+ AND RELATED FRANCK–CONDON FACTORS BASED ON GLOBAL POTENTIAL ENERGY SURFACES

    Article • Journal of Theoretical and Computational Chemistry, March 2005, World Scientific Pub Co Pte Lt

    Shinkoh NANBU

  66. Assignment of surface IR absorption spectra observed in the oxidation reactions: 2H+H2O/Si(100) and H2O+H/Si(100)

    Article • Surface Science, February 2005, Elsevier

    Shinkoh NANBU

  67. A theoretical study of cyclohexadiene/hexatriene photochemical interconversion: multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays

    Article • Chemical Physics Letters, January 2005, Elsevier

    Shinkoh NANBU

  68. Analysis of the Ultraviolet Absorption Cross Sections of Six Isotopically Substituted Nitrous Oxide Species Using 3D Wave Packet Propagation†

    Article • The Journal of Physical Chemistry A, October 2004, American Chemical Society (ACS)

    Shinkoh NANBU

  69. Three-pairs of doublet bands assigned toSiH2scissoring modes observed inH2O-induced oxidation of Si(100) surfaces

    Article • Physical Review B, January 2004, American Physical Society (APS)

    Shinkoh NANBU

  70. Theoretical analysis of the oxygen insertion process in the oxidation reactions of H2O+H/Si(100) and 2H+H2O/Si(100): a molecular orbital calculation and an analysis of tunneling reaction

    Article • Chemical Physics Letters, January 2004, Elsevier

    Shinkoh NANBU

  71. He*(2 3S) Penning ionization of H2S. I. Theoretical Franck–Condon factors for the H2S(X̃ 1A1,v′=0)→H2S+(X̃ 2B1,Ã 2A1) ionization and H2S+(ÖX̃) transition

    Article • The Journal of Chemical Physics, September 2003, American Institute of Physics

    Shinkoh NANBU

  72. He*(2 3S) penning ionization of H2S. II. Formation of the SH+(A 3Π) and H2S+(Ã 2A1) ions

    Article • The Journal of Chemical Physics, September 2003, American Institute of Physics

    Shinkoh NANBU

  73. Theoretical study of vibrational spectra of p-tert-butylcalix[4]crown-6-ether complexed with ethyl ammonium cation

    Article • Chemical Physics Letters, June 2003, Elsevier

    Shinkoh NANBU

  74. Millimeter-wave spectroscopy of the internal-rotation band of the He–HCN complex and the intermolecular potential energy surface

    Article • The Journal of Chemical Physics, October 2002, American Institute of Physics

    Shinkoh NANBU

  75. CHEMICAL REACTIONS IN THE O(1D) + HCl SYSTEM II.

    Article • Journal of Theoretical and Computational Chemistry, October 2002, World Scientific Pub Co Pte Lt

    Shinkoh NANBU

  76. CHEMICAL REACTIONS IN THE O(1D) + HCl SYSTEM I.

    Article • Journal of Theoretical and Computational Chemistry, October 2002, World Scientific Pub Co Pte Lt

    Shinkoh NANBU

  77. CHEMICAL REACTIONS IN THE O(1D) + HCl SYSTEM III.

    Article • Journal of Theoretical and Computational Chemistry, October 2002, World Scientific Pub Co Pte Lt

    Shinkoh NANBU

  78. Non-Adiabatic Bending Dissociation of OCS Induced by Orbital Unlocking

    Article • August 2002, American Chemical Society (ACS)

    Shinkoh NANBU

  79. Formation of HCl+(A2Σ+) and HBr+(A2Σ+) Resulting from He(23S) Penning Ionization of HCl and HBr

    Article • The Journal of Physical Chemistry A, June 2002, American Chemical Society (ACS)

    Shinkoh NANBU

  80. A comparative study of the quantum dynamics and rate constants of the O(3P)+HCl reaction described by two potential surfaces

    Article • The Journal of Chemical Physics, July 2000, American Institute of Physics

    Shinkoh NANBU

  81. Theoretical study of the potential energy surfaces and bound states of HCP

    Article • The Journal of Chemical Physics, April 2000, American Institute of Physics

    Shinkoh NANBU

  82. A theoretical study on vibrational spectra of C84 fullerenes: results for C2, D2, and D2d isomers

    Article • Journal of Molecular Structure THEOCHEM, April 1999, Elsevier

    Shinkoh NANBU

  83. Nonadiabatic bending dissociation in 16 valence electron system OCS

    Article • The Journal of Chemical Physics, October 1998, American Institute of Physics

    Shinkoh NANBU

  84. Molecular switching in one-dimensional finite periodic nonadiabatic tunneling potential systems

    Article • The Journal of Chemical Physics, October 1997, American Institute of Physics

    Shinkoh NANBU

  85. Theoretical study of the potential energy surfaces and dynamics of CaNC/CaCN

    Article • The Journal of Chemical Physics, May 1997, American Institute of Physics

    Shinkoh NANBU

  86. Potential energy surfaces of some low-lying states of fluoroformyl radical FCO

    Article • Chemical Physics, June 1994, Elsevier

    Shinkoh NANBU

  87. The excimer emission spectra and the interaction potential energy of the ground and excited states of He and alkali-metal ion systems

    Article • Chemical Physics Letters, May 1992, Elsevier

    Shinkoh NANBU

  88. Theoretical study of the photodissociation cross sections and the photodissociation dynamics of hypochlorous acid

    Article • The Journal of Physical Chemistry, March 1992, American Chemical Society (ACS)

    Shinkoh NANBU

  89. Theoretical studies of vacuum ultraviolet emission spectra of NeLi+ and ArLi+

    Article • The Journal of Chemical Physics, March 1991, American Institute of Physics

    Shinkoh NANBU

  90. Spectroscopic measurements in photochemistry. V. Computational chemistry in photochemistry.

    Article • Journal of the Spectroscopical Society of Japan, January 1990, The Spectroscopical Society of Japan

    Shinkoh NANBU

  91. Theoretical study of the photoabsorption cross sections of HOCl and HOF

    Article • Chemical Physics, July 1989, Elsevier

    Shinkoh NANBU

  92. Theoretical emission spectra of NeAl+ and ArAl+ in the vacuum ultraviolet region

    Article • Chemical Physics Letters, May 1988, Elsevier

    Shinkoh NANBU