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Computational study on the relative acidity of acetic acid by the qm/mm method combined with the theory of energy representation

Publication ,  Journal Article
Hori, T; Takahashi, H; Furukawa, SI; Nakano, M; Yang, W
Published in: Journal of Physical Chemistry B
2007

Duke Scholars

Weitao Yang
Author Weitao Yang Chemistry

Published In

Journal of Physical Chemistry B

Publication Date

2007

Issue

111

Start / End Page

581 / 588

Related Subject Headings

  • Water
  • Thermodynamics
  • Solutions
  • Protons
  • Models, Molecular
  • Kinetics
  • Hydrogen-Ion Concentration
  • Energy Transfer
  • Computer Simulation
  • Algorithms
 

Citation

APA
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ICMJE
MLA
NLM
Hori, T., Takahashi, H., Furukawa, S. I., Nakano, M., & Yang, W. (2007). Computational study on the relative acidity of acetic acid by the qm/mm method combined with the theory of energy representation. Journal of Physical Chemistry B, (111), 581–588.
Hori, T., H. Takahashi, S. I. Furukawa, M. Nakano, and W. Yang. “Computational study on the relative acidity of acetic acid by the qm/mm method combined with the theory of energy representation.” Journal of Physical Chemistry B, no. 111 (2007): 581–88.
Hori T, Takahashi H, Furukawa SI, Nakano M, Yang W. Computational study on the relative acidity of acetic acid by the qm/mm method combined with the theory of energy representation. Journal of Physical Chemistry B. 2007;(111):581–8.
Hori, T., et al. “Computational study on the relative acidity of acetic acid by the qm/mm method combined with the theory of energy representation.” Journal of Physical Chemistry B, no. 111, 2007, pp. 581–88.
Hori T, Takahashi H, Furukawa SI, Nakano M, Yang W. Computational study on the relative acidity of acetic acid by the qm/mm method combined with the theory of energy representation. Journal of Physical Chemistry B. 2007;(111):581–588.

Published In

Journal of Physical Chemistry B

Publication Date

2007

Issue

111

Start / End Page

581 / 588

Related Subject Headings

  • Water
  • Thermodynamics
  • Solutions
  • Protons
  • Models, Molecular
  • Kinetics
  • Hydrogen-Ion Concentration
  • Energy Transfer
  • Computer Simulation
  • Algorithms