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Takahashi, Hideaki, Hori, Takumi, Wakabayashi, Tadafumi, Nitta, Tomoshige (2000) A Density Functional Study for Hydrogen Bond Energy by Employing Real Space Grids. Chemistry Letters, 29 (3). 222-223 doi:10.1246/cl.2000.222

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Reference TypeJournal (article/letter/editorial)
TitleA Density Functional Study for Hydrogen Bond Energy by Employing Real Space Grids
JournalChemistry Letters
AuthorsTakahashi, HideakiAuthor
Hori, TakumiAuthor
Wakabayashi, TadafumiAuthor
Nitta, TomoshigeAuthor
Year2000 (March)Volume29
Issue3
PublisherThe Chemical Society of Japan
DOIdoi:10.1246/cl.2000.222Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3082693Long-form Identifiermindat:1:5:3082693:1
GUID0
Full ReferenceTakahashi, Hideaki, Hori, Takumi, Wakabayashi, Tadafumi, Nitta, Tomoshige (2000) A Density Functional Study for Hydrogen Bond Energy by Employing Real Space Grids. Chemistry Letters, 29 (3). 222-223 doi:10.1246/cl.2000.222
Plain TextTakahashi, Hideaki, Hori, Takumi, Wakabayashi, Tadafumi, Nitta, Tomoshige (2000) A Density Functional Study for Hydrogen Bond Energy by Employing Real Space Grids. Chemistry Letters, 29 (3). 222-223 doi:10.1246/cl.2000.222
In(2000, March) Chemistry Letters Vol. 29 (3) The Chemical Society of Japan

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Takahashi, Hideaki, Hori, Takumi, Wakabayashi, Tadafumi, Nitta, Tomoshige (2001) Real Space Ab Initio Molecular Dynamics Simulations for the Reactions of OH Radical/OH Anion with Formaldehyde. The Journal of Physical Chemistry A, 105 (17). 4351-4358 doi:10.1021/jp004348s
HORI, TAKUMI, TAKAHASHI, HIDEAKI, NITTA, TOMOSHIGE (2005) HYBRID QUANTUM MECHANICAL/MOLECULAR MECHANICAL APPROACH TO ENZYMATIC REACTIONS BY UTILIZING THE REAL-SPACE GRID TECHNIQUE. Journal of Theoretical and Computational Chemistry, 4. 867-882 doi:10.1142/s0219633605001799
Hori, Takumi, Takahashi, Hideaki, Nakano, Masayoshi, Nitta, Tomoshige, Yang, Weitao (2006) A QM/MM study combined with the theory of energy representation: Solvation free energies for anti/syn acetic acids in aqueous solution. Chemical Physics Letters, 419. 240-244 doi:10.1016/j.cplett.2005.11.096
Hori, Takumi, Takahashi, Hideaki, Nitta, Tomoshige (2003) Hybrid QM/MM molecular dynamics simulations for an ionic SN2 reaction in the supercritical water: OH− + CH3Cl → CH3OH + Cl−. Journal of Computational Chemistry, 24 (2). 209-221 doi:10.1002/jcc.10134
Takahashi, H., Hori, T., Hashimoto, H., Nitta, T. (2001) A hybrid QM/MM method employing real space grids for QM water in the TIP4P water solvents. Journal of Computational Chemistry, 22 (12). 1252-1261 doi:10.1002/jcc.1082
Takahashi, Hideaki, Okuda, Kazuhiro, Nitta, Tomoshige (2000) Chemical Modification of MgO(001) Surface by Utilizing Energy Decomposition Analyses for the Purpose of CO2Adsorption. Bulletin of the Chemical Society of Japan, 73 (2). 315-319 doi:10.1246/bcsj.73.315
Takahashi, Hideaki, Satou, Wataru, Hori, Takumi, Nitta, Tomoshige (2005) An application of the novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: An ionic dissociation of a water molecule in the supercritical water. The Journal of Chemical Physics, 122 (4). 44504pp. doi:10.1063/1.1839858
Kobayashi, Tomoshige, Nitta, Makoto (1982) PENTACARBONYLIRON INDUCED REARRANGEMENT OF PHENYL-SUBSTITUTED EPOXIDE UNDER ULTRAVIOLET IRRADIATION. Chemistry Letters, 11 (3). 325-328 doi:10.1246/cl.1982.325
Nitta, Makoto, Kobayashi, Tomoshige (1983) RING CLEAVAGE REACTIONS OF SUBSTITUTED 2-ISOXAZOLINES BY PENTACARBONYLIRON UNDER ULTRAVIOLET IRRADIATION. Chemistry Letters, 12 (1). 51-54 doi:10.1246/cl.1983.51
Kobayashi, Tomoshige, Nitta, Makoto (1983) HEXACARBONYLMOLYBDENUM-INDUCED FORMATION OF PYRIDINES FROM ISOXAZOLES AND ACETYLENIC ESTER. Chemistry Letters, 12 (8). 1233-1236 doi:10.1246/cl.1983.1233
Kobayashi, Tomoshige, Nitta, Makoto (1986) A Novel Route to Phenyl-substituted Pyridines by the Reaction ofN-(1-Phenylvinyl)iminophosphoranes with α,β-Unsaturated Ketones. Chemistry Letters, 15 (9). 1549-1552 doi:10.1246/cl.1986.1549
 
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