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Tadafumi Uchimaru

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Seiji Tsuzuki; Tadafumi Uchimaru; Akihiro Wakisaka; Taizo Ono; Takaaki Sonoda
CCSD(T) level interaction energy for halogen bond between pyridine and substituted iodobenzenes: origin and additivity of substituent effects.
Seiji Tsuzuki; Tadafumi Uchimaru; Masuhiro Mikami
Magnitude and nature of carbohydrate-aromatic interactions in fucose-phenol and fucose-indole complexes: CCSD(T) level interaction energy calculations.
Seiji Tsuzuki; Tadafumi Uchimaru; Masuhiro Mikami
Magnitude and nature of carbohydrate-aromatic interactions: ab initio calculations of fucose-benzene complex.

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2013: Seiji Tsuzuki; Tadafumi Uchimaru; Akihiro Wakisaka; Taizo Ono; Takaaki Sonoda
CCSD(T) level interaction energy for halogen bond between pyridine and substituted iodobenzenes: origin and additivity of substituent effects.
Physical chemistry chemical physics : PCCP 2013;15(16):6088-96.
2011: Seiji Tsuzuki; Tadafumi Uchimaru; Masuhiro Mikami
Magnitude and nature of carbohydrate-aromatic interactions in fucose-phenol and fucose-indole complexes: CCSD(T) level interaction energy calculations.
The journal of physical chemistry. A 2011;115(41):11256-62.
2009: Seiji Tsuzuki; Tadafumi Uchimaru; Masuhiro Mikami
Magnitude and nature of carbohydrate-aromatic interactions: ab initio calculations of fucose-benzene complex.
The journal of physical chemistry. B 2009;113(16):5617-21.
2008: Seiji Tsuzuki; Kazumasa Honda; Asuka Fujii; Tadafumi Uchimaru; Masuhiro Mikami
CH/pi interactions in methane clusters with polycyclic aromatic hydrocarbons.
Physical chemistry chemical physics : PCCP 2008;10(19):2860-5.
2006: Seiji Tsuzuki; Kazumasa Honda; Tadafumi Uchimaru; Masuhiro Mikami
Intermolecular interactions of nitrobenzene-benzene complex and nitrobenzene dimer: significant stabilization of slipped-parallel orientation by dispersion interaction.
The Journal of chemical physics 2006;125(12):124304.
2006: Seiji Tsuzuki; Kazumasa Honda; Tadafumi Uchimaru; Masuhiro Mikami; Asuka Fujii
Magnitude and directionality of the interaction energy of the aliphatic CH/pi interaction: significant difference from hydrogen bond.
The journal of physical chemistry. A 2006;110(33):10163-8.
2006: Seiji Tsuzuki; Kazumasa Honda; Tadafumi Uchimaru; Masuhiro Mikami
Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.
The Journal of chemical physics 2006;124(11):114304.
2006: Seiji Tsuzuki; Tadafumi Uchimaru; Masuhiro Mikami
Intermolecular interaction between hexafluorobenzene and benzene: Ab initio calculations including CCSD(T) level electron correlation correction.
The journal of physical chemistry. A 2006;110(5):2027-33.
2005: Seiji Tsuzuki; Kazumasa Honda; Tadafumi Uchimaru; Masuhiro Mikami
Ab initio calculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction.
The Journal of chemical physics 2005;122(14):144323.
2004: Seiji Tsuzuki; Tadafumi Uchimaru; Masuhiro Mikami; Shingo Urata
Magnitude and orientation dependence of intermolecular interaction of perfluoropropane dimer studied by high-level ab initio calculations: comparison with propane dimer.
The Journal of chemical physics 2004;121(20):9917-24.
2004: Shingo Urata; Seiji Tsuzuki; Akira Takada; Masuhiro Mikami; Tadafumi Uchimaru; Akira Sekiya
Analysis of the intermolecular interactions between CH3OCH3, CF3OCH3, CF3OCF3, and CH2F2, CHF3.
Journal of computational chemistry 2004;25(3):447-59.
2004: Seiji Tsuzuki; Kazumasa Honda; Tadafumi Uchimaru; Masuhiro Mikami
High-level ab initio computations of structures and interaction energies of naphthalene dimers: origin of attraction and its directionality.
The Journal of chemical physics 2004;120(2):647-59.
2003: Tadafumi Uchimaru; Asit K Chandra; Seiji Tsuzuki; Masaaki Sugie; Akira Sekiya
Ab initio investigation on the reaction path and rate for the gas-phase reaction of HO + H2O <--> H2O + OH.
Journal of computational chemistry 2003;24(13):1538-48.
2003: Shun-ichi Kawahara; Tadafumi Uchimaru; Kazunari Taira
2-Pyridone and 3-oxo-1,2,6-thiadiazine-1,1-dioxide derivatives: a new class of hydrogen bond equivalents of uracil.
Journal of computer-aided molecular design 2003;17(5-6):329-34.
2003: Asit K Chandra; Tadafumi Uchimaru; Masaaki Sugie; Akira Sekiya
Ab initio study on the structures of fluorinated formates and hydrogen abstraction reaction with OH radical.
Journal of computational chemistry 2003;24(3):396-407.
2002: Shingo Urata; Seiji Tsuzuki; Masuhiro Mikami; Akira Takada; Tadafumi Uchimaru; Akira Sekiya
Analysis of the intermolecular interaction between CH(3)OCH(3), CF(3)OCH(3), CF(3)OCF(3), and CH(4): high level ab initio calculations.
Journal of computational chemistry 2002;23(15):1472-9.
2002: Seiji Tsuzuki; Kazumasa Honda; Tadafumi Uchimaru; Masuhiro Mikami; Kazutoshi Tanabe
Origin of attraction and directionality of the pi/pi interaction: model chemistry calculations of benzene dimer interaction.
Journal of the American Chemical Society 2002;124(1):104-12.
2002: Shun-ichi Kawahara; Mitsuo Sekine; Kazunari Taira; Hideyuki Kobayashi; Tadafumi Uchimaru
Theoretical study of substitution effect of the hydrogen bond stability of 9-methylguanine derivatives and 1-methylcytosine.
Nucleic acids research. Supplement (2001) 2002;(2):191-2.
2002: Zbignew Pawelka; Asit K Chandra; Tadafumi Uchimaru; Thérèse Zeegers-Huyskens
Theoretical and vibrational study of the conformation of 2-methoxy- 1,2-diphenylethanone.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 2002;58(1):17-31.
2001: L T Nguyen; F D Proft; Asit K Chandra; Tadafumi Uchimaru; M T Nguyen; P Geerlings
Nitrous oxide as a 1,3-dipole: a theoretical study of its cycloaddition mechanism.
The Journal of organic chemistry 2001;66(18):6096-103.
2001: Shun-ichi Kawahara; Akio Kobori; Kazunari Taira; M Sekine; Tadafumi Uchimaru
Ab initio molecular orbital evaluation of the hydrogen bond energy of base pairs formed between substituted 1-methylcytosine derivatives and 9-methylguanine.
Nucleic acids research. Supplement (2001) 2001;(1):29-30.
2000: C Bruyneel; Asit K Chandra; Tadafumi Uchimaru; Thérèse Zeegers-Huyskens
Theoretical and experimental study of the vibrational spectrum of N-acetyl-L-alanine.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 2000;56(3):591-602.