Weihai Fang

发表

Reformulating time-dependent density functional theory with non-orthogonal localized molecular orbitals.

Weitao Yang, G. Cui, Weihai Fang, 2010, Physical chemistry chemical physics : PCCP.

Moderate Humidity Delays Electron-Hole Recombination in Hybrid Organic-Inorganic Perovskites: Time-Domain Ab Initio Simulations Rationalize Experiments.

O. Prezhdo, Weihai Fang, R. Long, 2016, The journal of physical chemistry letters.

Nonadiabatic molecular dynamics simulation: An approach based on quantum measurement picture

Yijing Yan, Weihai Fang, Wei Feng, 2013, 1312.4718.

Self-Assembled Carcerand-like Cage with a Thermoregulated Selective Binding Preference for Purification of High-Purity C60 and C70.

Xuebo Chen, Weihai Fang, Weidong Sun, 2018, The Journal of organic chemistry.

Selective cleavage of protonated penetratin and its substitutes under low-energy collision-induced dissociation condition.

Lily Zu, Lingyun Huang, Weihai Fang, 2010, Journal of mass spectrometry : JMS.

Dissociation of Protonated Peptides Containing Adjacent Arginines

Lily Zu, Weihai Fang, D. He, 2009, Journal of biomolecular structure & dynamics.

Highly Conducting Organic–Inorganic Hybrid Copper Sulfides Cu x C 6 S 6 (x=4 or 5.5): Ligand‐Based Oxidation‐Induced Chemical and Electronic Structure Modulation

Junliang Sun, Daoben Zhu, Weihai Fang, 2020, Angewandte Chemie.

Implicit-solvent dissipative particle dynamics force field based on a four-to-one coarse-grained mapping scheme

Weihai Fang, Mingwei Wan, Lianghui Gao, 2018, PloS one.

Insights into mechanistic photochemistry of urea.

G. Cui, Lina Ding, Weihai Fang, 2010, The Journal of chemical physics.

Free-triplet generation with improved efficiency in tetracene oligomers through spatially separated triplet pair states

Xiaoyu Xie, Hai-bo Ma, Weihai Fang, 2021, Nature Chemistry.

Synthesis and characterization of group 4 metal amides with new C2-symmetric binaphthyldiamine-based ligands and their use as catalysts for asymmetric hydroamination/cyclization.

Haibin Song, Weihai Fang, Guofu Zi, 2010, Dalton transactions.

The fluorescence regulation mechanism of the paramagnetic metal in a biological HNO sensor.

Xuebo Chen, Weihai Fang, Wenjing Yang, 2015, Chemical communications.

Laser-induced fluorescence of isobutoxy in competition with ground state decomposition.

Chengxuan Liu, Gaiting Liang, Lily Zu, 2013, The journal of physical chemistry. A.

Selective cleavage enhanced by acetylating the side chain of lysine.

Lily Zu, Weihai Fang, Gaiqing Xue, 2013, Journal of mass spectrometry : JMS.

Quantum Trajectory Approach to Molecular Dynamics Simulation with Surface Hopping

Weihai Fang, Wei Feng, Luting Xu, 2012, 1207.4298.

Conical intersection is responsible for the fluorescence disappearance below 365 nm in cyclopropanone.

G. Cui, Weihai Fang, Y. Ai, 2010, The journal of physical chemistry. A.

Exciton-Phonon Interaction Model for Singlet Fission in Prototypical Molecular Crystals.

A. Troisi, Xiaoyu Xie, Hai-bo Ma, 2019, Journal of chemical theory and computation.

Near-Infrared-Responsive Photo-Driven Nitrogen Fixation Enabled by Oxygen Vacancies and Sulfur Doping in Black TiO2-xSy Nanoplatelets.

Renpeng Chen, Zhong Jin, Hongwei Chen, 2021, ACS applied materials & interfaces.

Regulatory Mechanism of the Enantioselective Intramolecular Enone [2+2] Photocycloaddition Reaction Mediated by a Chiral Lewis Acid Catalyst Containing Heavy Atoms.

Xuebo Chen, Hongjuan Wang, Weihai Fang, 2015, Angewandte Chemie.

Precise Identification of the Dimethyl Sulfoxide Triggered Tricarbonyldichlororuthenium(II) Dimer for Releasing CO.

Ming Liu, Fangfu Ye, Xuebo Chen, 2021, The journal of physical chemistry letters.

Peptide-Lipid Interaction Sites Affect Vesicles' Responses to Antimicrobial Peptides.

Weihai Fang, Yu Shi, Mingwei Wan, 2018, Biophysical journal.

Visible-Light Photocatalysis of C(sp3 )-H Fluorination by the Uranyl Ion: Mechanistic Insights.

Liangliang Wu, Xuebo Chen, Weihai Fang, 2018, Angewandte Chemie.

Intraligand charge transfer boosts visible-light-driven generation of singlet oxygen by metal-organic frameworks

Shujuan Zhang, Jing Ma, Weihai Fang, 2020 .

A mono-copper doped undeca-gold cluster with up-converted and anti-stokes emissions of fluorescence and phosphorescence.

J. Yao, Zhixun Luo, G. Cui, 2021, Nanoscale.

Energy Resonance Crossing Controls the Photoluminescence of Europium Antenna Probes.

Liangliang Wu, Xuebo Chen, Weihai Fang, 2017, Angewandte Chemie.

A New Pumping Mechanism for A Series of Class II Methanol Masers in the J0 - J-1E Transitions

Weihai Fang, Jin Sun, Hanping Liu, 2002 .

Neutral-Eosin-Y-Photocatalyzed Silane Chlorination Using Dichloromethane.

Hongmei Su, Jie Wu, G. Cui, 2019, Angewandte Chemie.

Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study.

Yanhui Tang, Weihai Fang, Ming Lei, 2012, Physical chemistry chemical physics : PCCP.

Water-assisted self-photoredox of 2-(1-hydroxyethyl)-9,10-anthraquinone through a triplet excited state intra-molecular proton transfer pathway.

Xuebo Chen, Weihai Fang, Jiani Ma, 2015, Physical chemistry chemical physics : PCCP.

ON-OFF mechanism of a fluorescent sensor for the detection of Zn(II), Cd(II), and Cu(II)transition metal ions.

Xuebo Chen, Weihai Fang, Huizhen Su, 2014, Analytical chemistry.

Discrete stacking of aromatic oligoamide macrocycles.

T. Szyperski, D. Sukumaran, B. Gong, 2015, Journal of the American Chemical Society.

The photoluminescence mechanism of ultra-small gold clusters.

Liangliang Wu, Xuebo Chen, Weihai Fang, 2016, Physical chemistry chemical physics : PCCP.

Enhancement of diastereoselectivity in photodimerization of alkyl 2-naphthoates with chiral auxiliaries via inclusion within γ-cyclodextrin cavities.

C. Tung, Li‐Zhu Wu, R. Weiss, 2012, The Journal of organic chemistry.

Trivalent Uranium Complex As a Catalyst to Promote the Functionalization of Carbon Dioxide and Carbon Disulfide: A Computational Mechanistic Study.

Dongqi Wang, Z. Chai, Weihai Fang, 2012, Journal of chemical theory and computation.

Excited-State Dynamics of Crossing-Controlled Energy Transfer in Europium Complexes

Haoran Sun, Shufeng Wang, Z. Cui, 2022, JACS Au.

Thermodynamic Driving Forces for Divalent Cations Binding to Zwitterionic Phospholipid Membranes.

Xia Li, Q. Cui, Weihai Fang, 2022, The journal of physical chemistry letters.

Mechanistic insights into the formation of oxenium ions and radical intermediates through the photolysis of phenylhydroxylamine and its derivatives.

Xuebo Chen, Weihai Fang, Yumei Yang, 2018, Physical chemistry chemical physics : PCCP.

Polymyxin B Loosens Lipopolysaccharide Bilayer but Stiffens Phospholipid Bilayer.

Weihai Fang, Mingwei Wan, Lianghui Gao, 2019, Biophysical journal.

A pOH Jump Driven by N═N Out-of-Plane Motion in the Photoisomerization of Water-Solvated Triazabutadiene.

Xuebo Chen, Weihai Fang, Lishuang Ma, 2017, The journal of physical chemistry. A.

Formation of a mixed-valence Cu(i)/Cu(ii) metal–organic framework with the full light spectrum and high selectivity of CO2 photoreduction into CH4†

Y. Lan, J. Bai, Lei Zhang, 2020, Chemical science.

Hydrogen-Bonding Interaction Regulates Photoisomerization of a Single-Bond-Rotation Locked Photoactive Yellow Protein Chromophore in Protein.

G. Cui, Weihai Fang, Teng-shuo Zhang, 2020, The journal of physical chemistry letters.

A comprehensive study of isomerization and protonation reactions in the photocycle of the photoactive yellow protein.

Haobin Wang, Xuebo Chen, Weihai Fang, 2014, Physical chemistry chemical physics : PCCP.

Ab initio trajectory surface-hopping study on ultrafast deactivation process of thiophene.

G. Cui, Weihai Fang, 2011, The journal of physical chemistry. A.

A resonance Raman spectroscopic and CASSCF investigation of the Franck-Condon region structural dynamics and conical intersections of thiophene.

Xuebo Chen, Weihai Fang, Xuming Zheng, 2010, The Journal of chemical physics.

Development of Coarse‐Grained Force Field by Combining Multilinear Interpolation Technique and Simplex Algorithm

Mingwei Wan, Junjie Song, Wenli Li, 2019, J. Comput. Chem..

Insights into the mechanistic photodissociation of methyl formate.

G. Cui, Weihai Fang, Feng Zhang, 2010, The Journal of chemical physics.

Water-assisted self-photoredox of 3-(hydroxymethyl)benzophenone: an unusual photochemistry reaction in aqueous solution.

Xuebo Chen, Weihai Fang, D. Phillips, 2013, The Journal of organic chemistry.

Molecular dynamics simulation of carboxy and deoxy human cytoglobin in solution.

Weihai Fang, Jia Xu, W. Du, 2011, Journal of inorganic biochemistry.

Solution 1H NMR study of the active site structure for the double mutant H64Q/V68F cyanide complex from mouse neuroglobin.

Q. Wei, Weihai Fang, Juan Li, 2008, Biophysical chemistry.

Mechanistic insights into the photogeneration and quenching of guanine radical cation via one-electron oxidation of G-quadruplex DNA.

Hongmei Su, Xuebo Chen, Weihai Fang, 2018, Physical chemistry chemical physics : PCCP.

Highly Conducting Organic-inorganic Hybrid Copper Sulfides CuxC6S6(X = 4 or 5.5): Ligand-based Oxidation Induced Chemical and Electronic Structure Modulation.

W. Xu, Junliang Sun, Daoben Zhu, 2020, Angewandte Chemie.

Slow deactivation channels in UV-photoexcited adenine DNA.

Haobin Wang, Xuebo Chen, Weihai Fang, 2014, Physical chemistry chemical physics : PCCP.

Vibrationally resolved LIF spectrum of tertiary methylcyclohexoxy radical.

Gaiting Liang, Lily Zu, Weihai Fang, 2012, The journal of physical chemistry. A.

Nonradiative Electron--Hole Recombination Rate Is Greatly Reduced by Defects in Monolayer Black Phosphorus: Ab Initio Time Domain Study.

A. Akimov, Weihai Fang, R. Long, 2016, The journal of physical chemistry letters.

Charge Transport Dynamics of Quasi-Type II Perovskite Janus Nanocrystals in High-Performance Photoconductors.

Genban Sun, Jinsong Liu, Wenkai Zhang, 2023, The journal of physical chemistry letters.

Weak Donor-Acceptor Interaction and Interface Polarization Define Photoexcitation Dynamics in the MoS2/TiO2 Composite: Time-Domain Ab Initio Simulation.

O. Prezhdo, Weihai Fang, R. Long, 2017, Nano letters.

Channels to singlet and triplet phenylcarbenes in phenyldiazomethane: a CASSCF and MRCI study.

G. Cui, Weihai Fang, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Dynamics of laser-excited stacked adenines: semiclassical simulations.

Weihai Fang, Shuai Yuan, Y. Dou, 2013, International journal of biological macromolecules.

Detailed mechanism for photoinduced cytosine dimerization: a semiclassical dynamics simulation.

Lihong Liu, Weihai Fang, Shuai Yuan, 2011, The journal of physical chemistry. A.

Mechanistic photodissociation of glycolaldehyde: insights from ab initio and RRKM calculations.

G. Cui, Weihai Fang, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theoretical insight into the photodegradation of a disulfide bridged cyclic tetrapeptide in solution and subsequent fast unfolding-refolding events.

Xuebo Chen, Weihai Fang, D. Phillips, 2010, The journal of physical chemistry. B.

Sulfur-doped graphene for efficient electrocatalytic N2-to-NH3 fixation.

Abdullah M. Asiri, Hongyu Chen, Xuping Sun, 2019, Chemical communications.

Effects of induced tension and electrostatic interactions on the mechanisms of antimicrobial peptide translocation across lipid bilayer

Weihai Fang, Lianghui Gao, 2009 .

Self-assembly of gold nanorods coated with phospholipids: a coarse-grained molecular dynamics study

Weihai Fang, Mingwei Wan, Lianghui Gao, 2016, Nanotechnology.

Identifying and Modulating Accidental Fermi Resonance: 2D IR and DFT Study of 4-Azido-l-phenylalanine.

Z. Cui, Weihai Fang, Jiangyun Wang, 2018, The journal of physical chemistry. B.

Nonradiative Relaxation of Photoexcited Black Phosphorus Is Reduced by Stacking with MoS2: A Time Domain ab Initio Study.

Lihong Liu, Weihai Fang, R. Long, 2016, The journal of physical chemistry letters.

Covalent Functionalized Black Phosphorus Greatly Inhibits Nonradiative Charge Recombination: A Time-Domain ab Initio Study.

Weihai Fang, R. Long, Yaqing Wei, 2019, The journal of physical chemistry letters.

Spin‐orbit Ab initio investigation of the photodissociation of dibromomethane in the gas and solution phases

Weihai Fang, Yajun Liu, Hongyan Xiao, 2008, J. Comput. Chem..

Adiabatic and nonadiabatic bond cleavages in Norrish type I reaction.

Zhigang Sun, G. Cui, Weihai Fang, 2011, The journal of physical chemistry. A.

Dissipative Particle Dynamics Simulations for Phospholipid Membranes Based on a Four-To-One Coarse-Grained Mapping Scheme

Weihai Fang, Lianghui Gao, Xiaoxu Li, 2016, PloS one.

Theoretical insight into the relationship between the structures of antimicrobial peptides and their actions on bacterial membranes.

Weihai Fang, Lianghui Gao, Xiaoxu Li, 2015, The journal of physical chemistry. B.

Semi-bottom-up coarse graining of water based on microscopic simulations.

Weihai Fang, Lianghui Gao, 2011, The Journal of chemical physics.

High current output direct-current triboelectric nanogenerator based on organic semiconductor heterojunction

Y. Liu, Weihai Fang, Tianyu Lu, 2021, Nano Energy.

An organic semiconductor/metal Schottky heterojunction based direct current triboelectric nanogenerator windmill for wind energy harvesting

Y. Liu, Weihai Fang, Xin Wang, 2023, Nano Energy.

Theoretical Study of Effects of Solvents, Ligands, and Anions on Separation of Trivalent Lanthanides and Actinides.

T. Gaudin, Hai-bo Ma, Weihai Fang, 2021, Inorganic chemistry.

Development of accurate coarse-grained force fields for weakly polar groups by an indirect parameterization strategy.

Weihai Fang, Mingwei Wan, Lianghui Gao, 2021, Physical chemistry chemical physics : PCCP.

Development of coarse-grained force field for alcohols: an efficient meta-multilinear interpolation parameterization algorithm.

Weihai Fang, Mingwei Wan, Lianghui Gao, 2021, Physical chemistry chemical physics : PCCP.

Detecting the non-magnetism and magnetism switching of point defects in graphene at the atomic scale

Guofeng Song, Weihai Fang, Yurong Shi, 2022, Applied Surface Science.

Pb2+ induced DNA conformational switch from hairpin to G-quadruplex: electrochemical detection of Pb2+.

Zhenzhen Lin, Xiaohong Li, Weihai Fang, 2011, The Analyst.

Excited-state proton coupled electron transfer between photolyase and the damaged DNA through water wire: a photo-repair mechanism.

Xuebo Chen, Hongjuan Wang, Weihai Fang, 2014, Physical chemistry chemical physics : PCCP.

Structure and Formation Mechanism of Antimicrobial Peptides Temporin B- and L-Induced Tubular Membrane Protrusion

Xiangyuan Li, Weihai Fang, Lianghui Gao, 2021, International journal of molecular sciences.

Co-function Mechanisms of Chlorine and Alkoxy Radicals in Cerium-Catalyzed C-H Functionalization of Alkane Mediated by Visible Light.

Liangliang Wu, Xuebo Chen, Weihai Fang, 2023, The journal of physical chemistry letters.

Mechanism of Inhibition of Human Islet Amyloid Polypeptide-Induced Membrane Damage by a Small Organic Fluorogen

Weihai Fang, Mingwei Wan, Lianghui Gao, 2016, Scientific Reports.

Nanodomain Formation of Ganglioside GM1 in Lipid Membrane: Effects of Cholera Toxin-Mediated Cross-Linking.

Weihai Fang, Lianghui Gao, Huijiao Sun, 2015, Langmuir : the ACS journal of surfaces and colloids.

Preventing Superoxide Generation on Molecule-Protected CH3NH3PbI3 Perovskite: A Time-Domain Ab Initio Study.

Weihai Fang, R. Long, Jinlu He, 2021, The journal of physical chemistry letters.

Effects of Antimicrobial Peptide Revealed by Simulations: Translocation, Pore Formation, Membrane Corrugation and Euler Buckling

L. Golubović, Weihai Fang, Lianghui Gao, 2013, International journal of molecular sciences.

ON-OFF mechanism of a fluorescent sensor for the detection of Zn(II), Cd(II), and Cu(II)transition metal ions.

Xuebo Chen, Weihai Fang, Huizhen Su, 2014, Analytical chemistry.

Visible-Light Photocatalysis of C(sp3 )-H Fluorination by the Uranyl Ion: Mechanistic Insights.

Liangliang Wu, Xuebo Chen, Weihai Fang, 2018, Angewandte Chemie.

Coarse-Grained Force Field for Polyethylene Oxide and Polyethylene Glycol Aqueous Solutions Based on a Polarizable Water Model.

Weihai Fang, Mingwei Wan, Lianghui Gao, 2023, Journal of chemical theory and computation.

Ab initio based surface-hopping dynamics study on ultrafast internal conversion in cyclopropanone.

G. Cui, Weihai Fang, 2011, The journal of physical chemistry. A.

Polymyxins Induce Lipid Scrambling and Disrupt the Homeostasis of Gram-Negative Bacteria Membrane.

Xia Li, Weihai Fang, Lianghui Gao, 2022, Biophysical journal.

Density functional theory studies of actinide(III) motexafins (An-Motex2+, An = Ac, Cm, Lr). Structure, stability, and comparison with lanthanide(III) motexafins.

Xuebo Chen, Weihai Fang, M. Dolg, 2006, Inorganic chemistry.