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ORCIDBibTeX records: Xiang-Yuan Li
@article{DBLP:journals/jcc/YangHGYLLL11,
author = {Hua{-}Qing Yang and
Chang{-}Wei Hu and
Chao Gao and
Meng{-}Yao Yang and
Fang{-}Ming Li and
Cai{-}Qin Li and
Xiang{-}Yuan Li},
title = {Theoretical study on the gas-phase reaction mechanism between palladium
monoxide and methane},
journal = {J. Comput. Chem.},
volume = {32},
number = {16},
pages = {3440--3455},
year = {2011},
url = {https://doi.org/10.1002/jcc.21926},
doi = {10.1002/JCC.21926},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/YangHGYLLL11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/RaoLLMULLC10,
author = {Hanbing Rao and
Ze{-}Rong Li and
Xiang{-}Yuan Li and
Xiao Hua Ma and
Choong Yong Ung and
Hu Li and
Xianghui Liu and
Yuzong Chen},
title = {Identification of small molecule aggregators from large compound libraries
by support vector machines},
journal = {J. Comput. Chem.},
volume = {31},
number = {4},
pages = {752--763},
year = {2010},
url = {https://doi.org/10.1002/jcc.21347},
doi = {10.1002/JCC.21347},
timestamp = {Wed, 24 Jul 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/RaoLLMULLC10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiuWLZRL10,
author = {Cun{-}Xi Liu and
Hai{-}Xia Wang and
Ze{-}Rong Li and
Chong{-}Wen Zhou and
Hanbing Rao and
Xiang{-}Yuan Li},
title = {Accurate prediction of enthalpies of formation for a large set of
organic compounds},
journal = {J. Comput. Chem.},
volume = {31},
number = {14},
pages = {2585--2592},
year = {2010},
url = {https://doi.org/10.1002/jcc.21550},
doi = {10.1002/JCC.21550},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcc/LiuWLZRL10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiuLZL09,
author = {Cun{-}Xi Liu and
Ze{-}Rong Li and
Chong{-}Wen Zhou and
Xiang{-}Yuan Li},
title = {Accurate prediction of thermodynamic properties of alkyl peroxides
by combining density functional theory calculation with least-square
calibration},
journal = {J. Comput. Chem.},
volume = {30},
number = {7},
pages = {1007--1015},
year = {2009},
url = {https://doi.org/10.1002/jcc.21122},
doi = {10.1002/JCC.21122},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcc/LiuLZL09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/MaWLHZF08,
author = {Jian{-}Yi Ma and
Jing{-}Bo Wang and
Xiang{-}Yuan Li and
Yao Huang and
Quan Zhu and
Ke{-}Xiang Fu},
title = {A study on orientation and absorption spectrum of interfacial molecules
by using continuum model},
journal = {J. Comput. Chem.},
volume = {29},
number = {2},
pages = {198--210},
year = {2008},
url = {https://doi.org/10.1002/jcc.20773},
doi = {10.1002/JCC.20773},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/MaWLHZF08.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/FuZLGMH06,
author = {Ke{-}Xiang Fu and
Quan Zhu and
Xiang{-}Yuan Li and
Zhen Gong and
Jian{-}Yi Ma and
Rong{-}Xing He},
title = {Continuous medium theory for nonequilibrium solvation: {IV.} Solvent
reorganization energy of electron transfer based on conductor-like
screening model},
journal = {J. Comput. Chem.},
volume = {27},
number = {3},
pages = {368--374},
year = {2006},
url = {https://doi.org/10.1002/jcc.20347},
doi = {10.1002/JCC.20347},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/FuZLGMH06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ZhuFLGM05,
author = {Quan Zhu and
Ke{-}Xiang Fu and
Xiang{-}Yuan Li and
Zhen Gong and
Jian{-}Yi Ma},
title = {Continuous medium theory for nonequilibrium solvation: {III.} Solvation
shift by monopole approximation and multipole expansion in spherical
cavity},
journal = {J. Comput. Chem.},
volume = {26},
number = {4},
pages = {399--409},
year = {2005},
url = {https://doi.org/10.1002/jcc.20178},
doi = {10.1002/JCC.20178},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ZhuFLGM05.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiF04,
author = {Xiang{-}Yuan Li and
Ke{-}Xiang Fu},
title = {Continuous medium theory for nonequilibrium solvation: I. How to correctly
evaluate solvation free energy of nonequilibrium},
journal = {J. Comput. Chem.},
volume = {25},
number = {4},
pages = {500--509},
year = {2004},
url = {https://doi.org/10.1002/jcc.10377},
doi = {10.1002/JCC.10377},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LiF04.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiFZS04,
author = {Xiang{-}Yuan Li and
Ke{-}Xiang Fu and
Quan Zhu and
Min{-}Hua Shan},
title = {Continuous medium theory for nonequilibrium solvation: {II.} Interaction
energy between solute charge and reaction field and single-sphere
model for spectral shift},
journal = {J. Comput. Chem.},
volume = {25},
number = {6},
pages = {835--842},
year = {2004},
url = {https://doi.org/10.1002/jcc.20015},
doi = {10.1002/JCC.20015},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LiFZS04.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiH02,
author = {Xiang{-}Yuan Li and
Chun{-}Xiu Hu},
title = {Theoretical investigation of electron transfer transition in tetracyanoethylene-contained
organic complexes},
journal = {J. Comput. Chem.},
volume = {23},
number = {9},
pages = {874--886},
year = {2002},
url = {https://doi.org/10.1002/jcc.10079},
doi = {10.1002/JCC.10079},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LiH02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Li01,
author = {Xiang{-}Yuan Li},
title = {Electron transfer between tryptophan and tyrosine: Theoretical calculation
of electron transfer matrix element for intramolecular hole transfer},
journal = {J. Comput. Chem.},
volume = {22},
number = {6},
pages = {565--579},
year = {2001},
url = {https://doi.org/10.1002/jcc.1029},
doi = {10.1002/JCC.1029},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Li01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiL01,
author = {Xiang{-}Yuan Li and
Ji{-}Feng Liu},
title = {A theoretical study of solvent effect and reaction mechanism of electron
transfer reaction between indole side chain and phenol side chain
of peptide involving tryptophan and tyrosine},
journal = {J. Comput. Chem.},
volume = {22},
number = {10},
pages = {1067--1081},
year = {2001},
url = {https://doi.org/10.1002/jcc.1067},
doi = {10.1002/JCC.1067},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LiL01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiH99,
author = {Xiang{-}Yuan Li and
Fu{-}Cheng He},
title = {Electron transfer between biphenyl and biphenyl anion radicals: Reorganization
energies and electron transfer matrix elements},
journal = {J. Comput. Chem.},
volume = {20},
number = {6},
pages = {597--603},
year = {1999},
url = {https://doi.org/10.1002/(SICI)1096-987X(19990430)20:6\&\#60;597::AID-JCC5\&\#62;3.0.CO;2-C},
doi = {10.1002/(SICI)1096-987X(19990430)20:6\&\#60;597::AID-JCC5\&\#62;3.0.CO;2-C},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LiH99.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiTHY96,
author = {Xiang{-}Yuan Li and
An{-}Min Tian and
Fu{-}Cheng He and
Guo{-}Sen Yan},
title = {Electron transfer integral between two zero-overlap states},
journal = {J. Comput. Chem.},
volume = {17},
number = {9},
pages = {1108--1111},
year = {1996},
url = {https://doi.org/10.1002/(SICI)1096-987X(19960715)17:9\&\#60;1108::AID-JCC3\&\#62;3.0.CO;2-W},
doi = {10.1002/(SICI)1096-987X(19960715)17:9\&\#60;1108::AID-JCC3\&\#62;3.0.CO;2-W},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LiTHY96.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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