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Peifeng Su - Publications

Affiliations: 
Xiamen University, P.R.C 
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42 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Liu R, Zhang Z, Yan L, Yang X, Zhu Y, Su P, Song H, Wang Z. The Influence of Hydrogen Bonds on the Roaming Reaction. The Journal of Physical Chemistry Letters. 14: 9351-9356. PMID 37820388 DOI: 10.1021/acs.jpclett.3c02133  0.445
2023 Tang Z, Shao B, Wu W, Su P. Energy decomposition analysis methods for intermolecular interactions with excited states. Physical Chemistry Chemical Physics : Pccp. PMID 37386854 DOI: 10.1039/d3cp01760e  0.388
2023 Xu Y, Zhang S, Wu W, Su P. Assessments of DFT-based energy decomposition analysis methods for intermolecular interactions. The Journal of Chemical Physics. 158: 124116. PMID 37003781 DOI: 10.1063/5.0140912  0.393
2023 Wang W, Wu W, Su P. Radical Pairing Interactions and Donor-Acceptor Interactions in Cyclobis(paraquat-p-phenylene) Inclusion Complexes. Molecules (Basel, Switzerland). 28. PMID 36903306 DOI: 10.3390/molecules28052057  0.348
2022 Xu Y, Zhang S, Lindahl E, Friedman R, Wu W, Su P. A general tight-binding based energy decomposition analysis scheme for intermolecular interactions in large molecules. The Journal of Chemical Physics. 157: 034104. PMID 35868936 DOI: 10.1063/5.0091781  0.352
2022 Zheng P, Gan Z, Zhou C, Su P, Wu W. λ-DFVB(U): A hybrid density functional valence bond method based on unpaired electron density. The Journal of Chemical Physics. 156: 204103. PMID 35649821 DOI: 10.1063/5.0091592  0.451
2022 Huang D, Ying F, Chen S, Zhou C, Su P, Wu W. Metal-Ligand Bonds in Rare Earth Metal-Biphenyl Complexes. Inorganic Chemistry. PMID 35588219 DOI: 10.1021/acs.inorgchem.2c00144  0.411
2022 Zhang Y, Wu X, Su P, Wu W. Exploring the nature of electron-pair bonds: an energy decomposition analysis perspective. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 35487208 DOI: 10.1088/1361-648X/ac6bd9  0.537
2021 Tang Z, Song Y, Zhang S, Wang W, Xu Y, Wu D, Wu W, Su P. XEDA, a fast and multipurpose energy decomposition analysis program. Journal of Computational Chemistry. PMID 34626430 DOI: 10.1002/jcc.26765  0.502
2021 Xu Y, Friedman R, Wu W, Su P. Understanding intermolecular interactions of large systems in ground state and excited state by using density functional based tight binding methods. The Journal of Chemical Physics. 154: 194106. PMID 34240911 DOI: 10.1063/5.0052060  0.446
2021 Zhang Y, Wang W, Lasorne B, Su P, Wu W. Correction to "Diabatization around Conical Intersections with a New Phase-Corrected Valence-Bond-Based Compression Approach". The Journal of Physical Chemistry Letters. 2963. PMID 33730489 DOI: 10.1021/acs.jpclett.1c00724  0.417
2021 Zhang Y, Wang W, Lasorne B, Su P, Wu W. Diabatization around Conical Intersections with a New Phase-Corrected Valence-Bond-Based Compression Approach. The Journal of Physical Chemistry Letters. 1885-1892. PMID 33587630 DOI: 10.1021/acs.jpclett.0c03506  0.455
2021 Zheng P, Ji C, Ying F, Su P, Wu W. A Valence-Bond-Based Multiconfigurational Density Functional Theory: The λ-DFVB Method Revisited. Molecules (Basel, Switzerland). 26. PMID 33498268 DOI: 10.3390/molecules26030521  0.497
2020 Wang Y, Su P. Why Can Cationic Halogen Bond Donors Activate the Ritter-Type Solvolysis of Benzhydryl Bromide but Cationic Hydrogen Bond Donors Can Not? Acs Omega. 5: 21862-21872. PMID 32905280 DOI: 10.1021/acsomega.0c03000  0.474
2020 Zhang Y, Su P, Lasorne B, Braïda B, Wu W. A Novel Valence Bond Based Automatic Diabatisation Method by Compression. The Journal of Physical Chemistry Letters. PMID 32521163 DOI: 10.1021/Acs.Jpclett.0C01466  0.46
2019 Tang Z, Jiang Z, Chen H, Su P, Wu W. Energy decomposition analysis based on broken symmetry unrestricted density functional theory. The Journal of Chemical Physics. 151: 244106. PMID 31893870 DOI: 10.1063/1.5114611  0.447
2019 Ying F, Zhou C, Zheng P, Luan J, Su P, Wu W. λ-Density Functional Valence Bond: A Valence Bond-Based Multiconfigurational Density Functional Theory With a Single Variable Hybrid Parameter. Frontiers in Chemistry. 7: 225. PMID 31041304 DOI: 10.3389/Fchem.2019.00225  0.533
2018 Shen D, Su P, Wu W. What kind of neutral halogen bonds can be modulated by solvent effects? Physical Chemistry Chemical Physics : Pccp. PMID 30306976 DOI: 10.1039/C8Cp05358H  0.467
2018 Wu J, Liu X, Hao Y, Chen H, Su P, Wu W, Zhu J. σ-Aromaticity in a Fully Unsaturated Ring. Chemistry, An Asian Journal. PMID 30232840 DOI: 10.1002/Asia.201801279  0.397
2018 Zhang Y, Chen S, Ying F, Su P, Wu W. A Valence Bond Based Energy Decomposition Analysis Scheme and Its Application to Cation-π Interactions. The Journal of Physical Chemistry. A. PMID 29901393 DOI: 10.1021/Acs.Jpca.8B04201  0.495
2017 Liu Z, Trindle CO, Gu Q, Wu W, Su P. Unravelling hydrogen bonding interactions of tryptamine-water dimer from neutral to cation. Physical Chemistry Chemical Physics : Pccp. PMID 28799587 DOI: 10.1039/C7Cp03491A  0.515
2017 Gu Q, Su P, Xia Y, Yang Z, Trindle CO, Knee JL. Quantitative probing of subtle interactions among H-bonds in alpha hydroxy carboxylic acid complexes. Physical Chemistry Chemical Physics : Pccp. PMID 28722036 DOI: 10.1039/C7Cp03917D  0.309
2017 Gu Q, Shen D, Tang Z, Wu W, Su P, Xia Y, Yang Z, Trindle CO. Dissection of H-bonding interactions in a glycolic acid-water dimer. Physical Chemistry Chemical Physics : Pccp. PMID 28517011 DOI: 10.1039/C7Cp02234D  0.408
2016 Mo Y, Zhang H, Su P, Jarowski PD, Wu W. Intramolecular multi-bond strain: the unrecognized side of the dichotomy of conjugated systems. Chemical Science. 7: 5872-5878. PMID 30034728 DOI: 10.1039/C6Sc00454G  0.539
2016 Zhou C, Zhang Y, Gong X, Ying F, Su P, Wu W. A Hamiltonian matrix correction based density functional valence bond method. Journal of Chemical Theory and Computation. PMID 27992721 DOI: 10.1021/acs.jctc.6b01144  0.533
2016 Yuan C, Wu H, Jia M, Su P, Luo Z, Yao J. A theoretical study of weak interactions in phenylenediamine homodimer clusters. Physical Chemistry Chemical Physics : Pccp. PMID 27731437 DOI: 10.1039/C6Cp04922B  0.343
2016 Gu Q, Tang Z, Su P, Wu W, Yang Z, Trindle CO, Knee JL. Communication: Physical origins of ionization potential shifts in mixed carboxylic acids and water complexes. The Journal of Chemical Physics. 145: 051101. PMID 27497532 DOI: 10.1063/1.4959970  0.429
2016 Chang X, Zhang Y, Weng X, Su P, Wu W, Mo Y. Red-Shifting versus Blue-Shifting Hydrogen Bonds: A Perspective from Ab Initio Valence Bond Theory. The Journal of Physical Chemistry. A. PMID 27074500 DOI: 10.1021/Acs.Jpca.6B02245  0.564
2014 Su P, Jiang Z, Chen Z, Wu W. Energy decomposition scheme based on the generalized Kohn-Sham scheme. The Journal of Physical Chemistry. A. 118: 2531-42. PMID 24611964 DOI: 10.1021/Jp500405S  0.358
2012 Ying F, Su P, Chen Z, Shaik S, Wu W. DFVB: A Density-Functional-Based Valence Bond Method. Journal of Chemical Theory and Computation. 8: 1608-15. PMID 26593654 DOI: 10.1021/Ct200803H  0.582
2012 Su P, Liu H, Wu W. Free energy decomposition analysis of bonding and nonbonding interactions in solution. Journal of Chemical Physics. 137: 34111. PMID 22830687 DOI: 10.1063/1.4736533  0.405
2012 Shaik S, Danovich D, Wu W, Su P, Rzepa HS, Hiberty PC. Quadruple bonding in C2 and analogous eight-valence electron species. Nature Chemistry. 4: 195-200. PMID 22354433 DOI: 10.1038/Nchem.1263  0.616
2012 Ying F, Chang X, Su P, Wu W. VBEFP: a valence bond approach that incorporates effective fragment potential method. The Journal of Physical Chemistry. A. 116: 1846-53. PMID 22276645 DOI: 10.1021/Jp211314J  0.549
2011 Su P, Wu J, Gu J, Wu W, Shaik S, Hiberty PC. Bonding Conundrums in the C2 Molecule: A Valence Bond Study. Journal of Chemical Theory and Computation. 7: 121-130. PMID 26606225 DOI: 10.1021/Ct100577V  0.637
2011 Wu W, Su P, Shaik S, Hiberty PC. Classical valence bond approach by modern methods. Chemical Reviews. 111: 7557-93. PMID 21848344 DOI: 10.1021/Cr100228R  0.464
2009 Su P, Li H. Energy decomposition analysis of covalent bonds and intermolecular interactions. The Journal of Chemical Physics. 131: 014102. PMID 19586091 DOI: 10.1063/1.3159673  0.509
2008 Su P, Wu W, Kelly CP, Cramer CJ, Truhlar DG. VBSM: a solvation model based on valence bond theory. The Journal of Physical Chemistry. A. 112: 12761-8. PMID 18671376 DOI: 10.1021/Jp711655K  0.44
2008 Su P, Wu W, Shaik S, Hiberty PC. A valence bond study of the low-lying states of the NF molecule. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 1442-52. PMID 18509836 DOI: 10.1002/Cphc.200800143  0.64
2008 Su P, Song L, Wu W, Shaik S, Hiberty PC. Heterolytic bond dissociation in water: why is it so easy for C4H9Cl but not for C3H9SiCl? The Journal of Physical Chemistry. A. 112: 2988-97. PMID 18331015 DOI: 10.1021/Jp8004647  0.612
2007 Su P, Ying F, Wu W, Hiberty PC, Shaik S. The Menshutkin reaction in the gas phase and in aqueous solution: a valence bond study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 2603-14. PMID 18061916 DOI: 10.1002/Cphc.200700626  0.53
2007 Su P, Song L, Wu W, Hiberty PC, Shaik S. A valence bond study of the dioxygen molecule. Journal of Computational Chemistry. 28: 185-97. PMID 17061244 DOI: 10.1002/Jcc.20490  0.595
2004 Su P, Song L, Wu W, Hiberty PC, Shaik S. Valence bond calculations of hydrogen transfer reactions: a general predictive pattern derived from theory. Journal of the American Chemical Society. 126: 13539-49. PMID 15479111 DOI: 10.1021/Ja048105F  0.589
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