Tadafumi Uchimaru

发表

Ab initio study on the structures of fluorinated formates and hydrogen abstraction reaction with OH radical

Asit K. Chandra, Tadafumi Uchimaru, Masaaki Sugie, 2003, J. Comput. Chem..

Organic synthesis design system CASINO

Tadafumi Uchimaru, Kazutoshi Tanabe, 1994 .

Analysis of the intermolecular interactions between CH3OCH3, CF3OCH3, CF3OCF3, and CH2F2, CHF3

Masuhiro Mikami, Akira Takada, Tadafumi Uchimaru, 2004, J. Comput. Chem..

Organic synthesis design system CASINO

Tadafumi Uchimaru, Kazutoshi Tanabe, 1993 .

Kinetics of the hydrogen abstraction reactions of 1, 1- and 1, 2-difluoroethane with hydroxyl radical: an ab initio study

Asit K. Chandra, Tadafumi Uchimaru, Masaaki Sugie, 2000, J. Comput. Chem..

2-Pyridone and 3-oxo-1,2,6-thiadiazine-1,1-dioxide derivatives: a new class of hydrogen bond equivalents of uracil

Tadafumi Uchimaru, Shun-ichi Kawahara, Kazunari Taira, 2003, J. Comput. Aided Mol. Des..

Analysis of the intermolecular interaction between CH3OCH3, CF3OCH3, CF3OCF3, and CH4: High level ab initio calculations

Masuhiro Mikami, Akira Takada, Tadafumi Uchimaru, 2002, J. Comput. Chem..

Reaction of OH radical with mono‐, di‐, and trichloroacetaldehyde: an ab initio study

Asit K. Chandra, Tadafumi Uchimaru, 2001, J. Comput. Chem..

Ab initio investigation on the reaction path and rate for the gas‐phase reaction of HO + H2O ↔ H2O + OH

Asit K. Chandra, Tadafumi Uchimaru, Masaaki Sugie, 2003, J. Comput. Chem..

Effects of the higher electron correlation correction on the calculated intermolecular interaction energies of benzene and naphthalene dimers: comparison between MP2 and CCSD(T) calculations

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 2000 .

High-level ab initio computations of structures and interaction energies of naphthalene dimers: origin of attraction and its directionality.

Kazumasa Honda, Masuhiro Mikami, Tadafumi Uchimaru, 2004, The Journal of chemical physics.

Ab initio calculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction.

Kazumasa Honda, Masuhiro Mikami, Tadafumi Uchimaru, 2005, The Journal of chemical physics.

High-Level ab Initio Calculations of Interaction Energies of C2H4-CH4and C2H6-CH4Dimers: A Model Study of CH/π Interaction

Kazumasa Honda, Masuhiro Mikami, Kazutoshi Tanabe, 1999 .

Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of CF4 and C2F6 dimers

Masuhiro Mikami, Tadafumi Uchimaru, Shingo Urata, 2002 .

The O-H Bond Dissociation Energies of Substituted Phenols and Proton Affinities of Substituted Phenoxide Ions: A DFT Study

Asit K. Chandra, Tadafumi Uchimaru, T. Uchimaru, 2002 .

Multi-step photolysis of benzenetetracarboxylic dianhydrides in low-temperature argon matrices: exploration of reactive intermediates containing benzdiynes produced stepwise during photochemical reactions

Akira Yabe, Tadafumi Uchimaru, Masaya Moriyama, 1999 .

Basis set effects on the intermolecular interaction of hydrocarbon molecules obtained by an ab initio molecular orbital method : evaluation of dispersion energy

Kazutoshi Tanabe, Tadafumi Uchimaru, Seiji Tsuzuki, 1994 .

A theoretical study on the strength of two-center three-electron bonds in the NO3 radical adducts of reduced sulfur molecules, H2S, CH3SH, CH3SCH3, and CH3SSCH3

Tadafumi Uchimaru, Masaaki Sugie, Akira Sekiya, 2006 .

The Magnitude of the CH/π Interaction between Benzene and Some Model Hydrocarbons

Kazumasa Honda, Kazutoshi Tanabe, Tadafumi Uchimaru, 2000 .

The C–H bond dissociation enthalpies of haloethers and its correlation with the activation energies for hydrogen abstraction by OH radical: A DFT study

Asit K. Chandra, Tadafumi Uchimaru, T. Uchimaru, 2001 .

The Origin of the Cation/π Interaction: The Significant Importance of the Induction in Li+ and Na+ Complexes

Masuhiro Mikami, Masaru Yoshida, Tadafumi Uchimaru, 2001 .

NEW MEDIUM-SIZE BASIS SETS TO EVALUATE THE DISPERSION INTERACTION OF HYDROCARBON MOLECULES

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 1998 .

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.

Kazumasa Honda, Masuhiro Mikami, Tadafumi Uchimaru, 2006, The Journal of chemical physics.

High Level ab Initio Calculations of Intermolecular Interaction of Propane Dimer: Orientation Dependence of Interaction Energy

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 2002 .

Effects of basis set and electron correlation on the calculated interaction energies of hydrogen bonding complexes: MP2/cc-pV5Z calculations of H2O–MeOH,H2O–Me2O,H2O–H2CO, MeOH–MeOH, and HCOOH–HCOOH complexes

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 1999 .

Energy profile of the interconversion path between T-shape and slipped-parallel benzene dimers

Masuhiro Mikami, Tadafumi Uchimaru, Seiji Tsuzuki, 2002 .

Asymmetric Tandem Claisen‐Ene Strategy for Convergent Synthesis of (+)‐ 9(11)‐Dehydroestrone Methyl Ether: Stereochemical Studies on the Ene Cyclization and Cyclic Enol Ether Claisen Rearrangement for Steroid Total Synthesis.

Koichi Mikami, Tadafumi Uchimaru, Kazuhiko Takahashi, 1995 .

Intermolecular interaction between hexafluorobenzene and benzene: Ab initio calculations including CCSD(T) level electron correlation correction.

Masuhiro Mikami, Tadafumi Uchimaru, Seiji Tsuzuki, 2006, The journal of physical chemistry. A.

Hydrogen abstraction from dimethyl ether (DME) and dimethyl sulfide (DMS) by OH radical: a computational study

Tadafumi Uchimaru, Masaaki Sugie, Akira Sekiya, 2005 .

Asymmetric Tandem Claisen-Ene Strategy for Convergent Synthesis of (+)-9(11)-Dehydroestrone Methyl Ether: Stereochemical Studies on the Ene Cyclization and Cyclic Enol Ether Claisen Rearrangement for Steroid Total Synthesis

Koichi Mikami, Tadafumi Uchimaru, T. Nakai, 1994 .

Refinement of Nonbonding Interaction Potential Parameters for Methane on the Basis of the Pair Potential Obtained by MP3/6-311G(3d,3p)-Level ab Initio Molecular Orbital Calculations: The Anisotropy of H/H Interaction

Kazutoshi Tanabe, Tadafumi Uchimaru, Seiji Tsuzuki, 1994 .

Basis set effects on the calculated bonding energies of neutral benzene dimers: importance of diffuse polarization functions

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 1996 .

Origin of the Attraction and Directionality of the NH/π Interaction: Comparison with OH/π and CH/π Interactions

Kazumasa Honda, Kazutoshi Tanabe, Tadafumi Uchimaru, 2000 .

Rate constants estimation for the reaction of hydrofluorocarbons and hydrofluoroethers with OH radicals

Akira Takada, Asit K. Chandra, Tadafumi Uchimaru, 2003 .