Yufang Liu

Summary

Affiliation: Henan Normal University
Country: China

Publications

  1. pmc Stereodynamics study of the reaction of O(³P) with CH₄(v = 0, j = 0)
    Yufang Liu
    Department of Physics, Henan Normal University, Xinxiang, China
    Int J Mol Sci 10:2146-57. 2009
  2. doi request reprint Time-dependent density functional theory study on electronically excited States of coumarin 102 chromophore in aniline solvent: reconsideration of the electronic excited-state hydrogen-bonding dynamics
    Yufang Liu
    Henan Normal University, Xinxiang 453007, China
    J Phys Chem A 112:6244-8. 2008
  3. doi request reprint Time-dependent density functional theory study on the electronic excited-state geometric structure, infrared spectra, and hydrogen bonding of a doubly hydrogen-bonded complex
    Yufang Liu
    Physics Department, Henan Normal University, Xinxiang 453007, China
    J Comput Chem 30:2723-7. 2009
  4. doi request reprint Excited-state hydrogen bonding and deprotonation of esculetin in solution: a DFT/TDDFT study
    Yufang Liu
    Department of Physics, Henan Normal University, Xinxiang, China
    Spectrochim Acta A Mol Biomol Spectrosc 79:213-8. 2011
  5. doi request reprint Excited-state N-H···S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study
    Yufang Liu
    Department of Physics, Henan Normal University, Xinxiang 453007, China
    Phys Chem Chem Phys 13:15299-304. 2011
  6. doi request reprint A TD-DFT study on the hydrogen bonding of three esculetin complexes in electronically excited states: strengthening and weakening
    Yu Fang Liu
    Department of Physics, Henan Normal University, Xinxiang 453007, China
    J Comput Chem 32:3475-84. 2011
  7. doi request reprint Electronic spectrum of 17 electronic states of BN molecule: a theoretical study
    Deheng Shi
    College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007, China
    Spectrochim Acta A Mol Biomol Spectrosc 93:367-78. 2012
  8. doi request reprint Excited-state intramolecular hydrogen bonding of compounds based on 2-(2-hydroxyphenyl)-1,3-benzoxazole in solution: a TDDFT study
    Hui Li
    Department of Physics, Henan Normal University, Xinxiang 453007, China
    Spectrochim Acta A Mol Biomol Spectrosc 133:818-24. 2014

Collaborators

  • Hui Li
  • Deheng Shi
  • Jinfeng Sun
  • Hui Liu
  • Wei Xing
  • Zunlue Zhu

Detail Information

Publications8

  1. pmc Stereodynamics study of the reaction of O(³P) with CH₄(v = 0, j = 0)
    Yufang Liu
    Department of Physics, Henan Normal University, Xinxiang, China
    Int J Mol Sci 10:2146-57. 2009
    ..The isotope effect for the reactions O + CD(4) is also calculated. These results are in good agreement with the experiments...
  2. doi request reprint Time-dependent density functional theory study on electronically excited States of coumarin 102 chromophore in aniline solvent: reconsideration of the electronic excited-state hydrogen-bonding dynamics
    Yufang Liu
    Henan Normal University, Xinxiang 453007, China
    J Phys Chem A 112:6244-8. 2008
    ..Therefore, we believed that the dispute about the intermolecular hydrogen bond cleavage or strengthening in the electronically excited-state of coumarin 102 chromophore in hydrogen donating solvents has been clarified by our studies...
  3. doi request reprint Time-dependent density functional theory study on the electronic excited-state geometric structure, infrared spectra, and hydrogen bonding of a doubly hydrogen-bonded complex
    Yufang Liu
    Physics Department, Henan Normal University, Xinxiang 453007, China
    J Comput Chem 30:2723-7. 2009
    ..The hydrogen bond strengthening in the electronically excited state is similar to the previous study on the singly hydrogen-bonded FN-MeOH complex and play important role on the photophysics of fluorenone in solutions...
  4. doi request reprint Excited-state hydrogen bonding and deprotonation of esculetin in solution: a DFT/TDDFT study
    Yufang Liu
    Department of Physics, Henan Normal University, Xinxiang, China
    Spectrochim Acta A Mol Biomol Spectrosc 79:213-8. 2011
    ....
  5. doi request reprint Excited-state N-H···S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study
    Yufang Liu
    Department of Physics, Henan Normal University, Xinxiang 453007, China
    Phys Chem Chem Phys 13:15299-304. 2011
    ..These findings may provide insights for further study of N-H···S hydrogen bonds existing in many biomolecular systems...
  6. doi request reprint A TD-DFT study on the hydrogen bonding of three esculetin complexes in electronically excited states: strengthening and weakening
    Yu Fang Liu
    Department of Physics, Henan Normal University, Xinxiang 453007, China
    J Comput Chem 32:3475-84. 2011
    ....
  7. doi request reprint Electronic spectrum of 17 electronic states of BN molecule: a theoretical study
    Deheng Shi
    College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007, China
    Spectrochim Acta A Mol Biomol Spectrosc 93:367-78. 2012
    ....
  8. doi request reprint Excited-state intramolecular hydrogen bonding of compounds based on 2-(2-hydroxyphenyl)-1,3-benzoxazole in solution: a TDDFT study
    Hui Li
    Department of Physics, Henan Normal University, Xinxiang 453007, China
    Spectrochim Acta A Mol Biomol Spectrosc 133:818-24. 2014
    ..In addition, the intramolecular charge transfers (ICT) of the S1 state for 6 and its tautomers 6a and 6b were theoretically investigated by analyses of molecular orbital. ..