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Can the electronegativity equalization method predict spectroscopic properties?

Toon Verstraelen (UGent) and Patrick Bultinck (UGent)
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Keywords
Hirshfeld-I, Electronegativity equalization, Dipole moment, Infrared spectroscopy, Dipole derivatives, Molecular mechanics, MOLECULAR-DYNAMICS SIMULATIONS, CHARGE SENSITIVITY-ANALYSIS, DENSITY-FUNCTIONAL THEORY, ATOMIC CHARGES, FORCE-FIELD, PARAMETRIZATION, EQUILIBRATION, COMPUTATION, HARDNESS, MODELS

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Citation

Please use this url to cite or link to this publication:

Chicago
Verstraelen, Toon, and Patrick Bultinck. 2015. “Can the Electronegativity Equalization Method Predict Spectroscopic Properties?” Ed. Joshua J Klaassen and James R Durig. Spectrochimica Acta Part A-molecular and Biomolecular Spectroscopy 136: 76–80.
APA
Verstraelen, T., & Bultinck, P. (2015). Can the electronegativity equalization method predict spectroscopic properties? (J. J. Klaassen & J. R. Durig, Eds.)SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 136, 76–80.
Vancouver
1.
Verstraelen T, Bultinck P. Can the electronegativity equalization method predict spectroscopic properties? Klaassen JJ, Durig JR, editors. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 2015;136:76–80.
MLA
Verstraelen, Toon, and Patrick Bultinck. “Can the Electronegativity Equalization Method Predict Spectroscopic Properties?” Ed. Joshua J Klaassen & James R Durig. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 136 (2015): 76–80. Print.
@article{4411264,
  author       = {Verstraelen, Toon and Bultinck, Patrick},
  editor       = {Klaassen, Joshua J and Durig, James R},
  issn         = {1386-1425},
  journal      = {SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY},
  keyword      = {Hirshfeld-I,Electronegativity equalization,Dipole moment,Infrared spectroscopy,Dipole derivatives,Molecular mechanics,MOLECULAR-DYNAMICS SIMULATIONS,CHARGE SENSITIVITY-ANALYSIS,DENSITY-FUNCTIONAL THEORY,ATOMIC CHARGES,FORCE-FIELD,PARAMETRIZATION,EQUILIBRATION,COMPUTATION,HARDNESS,MODELS},
  language     = {eng},
  pages        = {76--80},
  title        = {Can the electronegativity equalization method predict spectroscopic properties?},
  url          = {http://dx.doi.org/10.1016/j.saa.2013.10.124},
  volume       = {136},
  year         = {2015},
}

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