Tadafumi Uchimaru

Overview

Best Publications

• Origin of Attraction and Directionality of the π/π Interaction: Model Chemistry Calculations of Benzene Dimer Interaction

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  1346
  Citations

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

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;and Masuhiro Mikami

  652
  Citations

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

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;and Masuhiro Mikami

  477
  Citations

• 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

  Seiji Tsuzuki;Tadafumi Uchimaru;Kazunari Matsumura;Masuhiro Mikami

  337
  Citations

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

  Seiji Tsuzuki;Masaru Yoshida;Tadafumi Uchimaru;Masuhiro Mikami

  285
  Citations

• An ab Initio Investigation of the Reactions of 1,1- and 1,2-Dichloroethane with Hydroxyl Radical

  Asit K. Chandra;Tadafumi Uchimaru

  270
  Citations

• Protonation and Deprotonation Enthalpies of Guanine and Adenine and Implications for the Structure and Energy of Their Complexes with Water: Comparison with Uracil, Thymine, and Cytosine

  A. K. Chandra;Minh Tho Nguyen;T. Uchimaru;T. Zeegers-Huyskens

  253
  Citations

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

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  223
  Citations

• Structures of the reactive intermediates in organocatalysis with diarylprolinol ethers

  Uroš Grošelj;Dieter Seebach;D. Michael Badine;W. Bernd Schweizer

  188
  Citations

• Intermolecular Interaction between Hexafluorobenzene and Benzene: Ab Initio Calculations Including CCSD(T) Level Electron Correlation Correction

  Seiji Tsuzuki;Tadafumi Uchimaru;Masuhiro Mikami

  181
  Citations

• 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

  Seiji Tsuzuki;Tadafumi Uchimaru;Kazunari Matsumura;Masuhiro Mikami

  169
  Citations

• Intermolecular interaction potentials of methane and ethylene dimers calculated with the Møller–Plesset, coupled cluster and density functional methods

  Seiji Tsuzuki;Tadafumi Uchimaru;Kazutoshi Tanabe

  166
  Citations

• Conformational analysis of 1,2-dimethoxyethane by ab initio molecular orbital and molecular mechanics calculations: stabilization of the TGG' rotamer by the 1,5 CH3/O nonbonding attractive interaction

  Seiji Tsuzuki;Tadafumi Uchimaru;Kazutoshi Tanabe;Tsuneo Hirano

  165
  Citations

• High‐Yielding Synthesis of the Anti‐Influenza Neuraminidase Inhibitor (−)‐Oseltamivir by Two “One‐Pot” Sequences

  Hayato Ishikawa;Takaki Suzuki;Hideo Orita;Tadafumi Uchimaru

  159
  Citations

• Magnitude and Directionality of the Interaction Energy of the Aliphatic CH/π Interaction: Significant Difference from Hydrogen Bond

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  150
  Citations

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

  Unknown

  147
  Citations

• 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

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  144
  Citations

• Direct organocatalytic mannich reaction of acetaldehyde: an improved catalyst and mechanistic insight from a computational study.

  Yujiro Hayashi;Tsubasa Okano;Takahiko Itoh;Tatsuya Urushima

  143
  Citations

• TORSIONAL POTENTIAL OF BIPHENYL : AB INITIO CALCULATIONS WITH THE DUNNING CORRELATION CONSISTED BASIS SETS

  Seiji Tsuzuki;Tadafumi Uchimaru;Kazunari Matsumura;Masuhiro Mikami

  141
  Citations

• The interaction of benzene with chloro- and fluoromethanes: Effects of halogenation on CH/π interaction

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  140
  Citations

• Accuracy of intermolecular interaction energies, particularly those of hetero-atom containing molecules obtained by DFT calculations with Grimme's D2, D3 and D3BJ dispersion corrections.

  Seiji Tsuzuki;Tadafumi Uchimaru

  140
  Citations

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

  Seiji Tsuzuki;Tadafumi Uchimaru;Kazutoshi Tanabe

  130
  Citations