Yufang Liu

Summary

Affiliation: Henan Normal University
Country: China

Publications

  1. doi request reprint Theoretical study on the dehydrogenation reaction of dihydrogen bonded phenol-borane-trimethylamine in the excited state
    Yonggang Yang
    College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007, China
    Phys Chem Chem Phys 17:32132-9. 2015
  2. 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
  3. 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
  4. 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
  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 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
  7. 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
  8. doi request reprint Photoinduced excited state intramolecular proton transfer and spectral behaviors of Aloesaponarin 1
    Yonggang Yang
    College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007, China
    Spectrochim Acta A Mol Biomol Spectrosc 151:814-20. 2015
  9. 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
  10. 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

Collaborators

  • Hui Li
  • Yonggang Yang
  • Jinfeng Sun
  • Kai Jiang
  • Dapeng Yang
  • Chi Ma
  • Deheng Shi
  • Chaozheng Li
  • Hui Liu
  • Wei Xing
  • Zunlue Zhu

Detail Information

Publications11

  1. doi request reprint Theoretical study on the dehydrogenation reaction of dihydrogen bonded phenol-borane-trimethylamine in the excited state
    Yonggang Yang
    College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007, China
    Phys Chem Chem Phys 17:32132-9. 2015
    ..This work provides a theoretical model for the dehydrogenation process of phenol-BTMA in the excited state. ..
  2. 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...
  3. 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...
  4. 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
    ....
  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 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
    ....
  7. 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...
  8. doi request reprint Photoinduced excited state intramolecular proton transfer and spectral behaviors of Aloesaponarin 1
    Yonggang Yang
    College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007, China
    Spectrochim Acta A Mol Biomol Spectrosc 151:814-20. 2015
    ..The inducement and influence factors of ESIPT process of AS1 are illustrated by analyzing electrostatic potential, molecular orbital and natural bond orbital...
  9. 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. ..
  10. 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
    ....
  11. doi request reprint TD-DFT Study of the Double Excited-State Intramolecular Proton Transfer Mechanism of 1,3-Bis(2-pyridylimino)-4,7-dihydroxyisoindole
    Chi Ma
    Department of Physics, Henan Normal University, Xinxiang 453007, China
    J Phys Chem A 119:12686-92. 2015
    ..The hydrogen bond strengthening promotes the proton transfer in the S1 state effectively. The large Stocks shift observed in the experiment can be explained more comprehensively according to the ESDPT mechanism. ..