H. Fu

发表

Structures, spectroscopic properties and redox potentials of quaterpyridyl Ru(II) photosensitizer and its derivatives for solar energy cell: a density functional study.

Hong-Xing Zhang, Qingjiang Pan, Yuanru Guo, 2011, Physical chemistry chemical physics : PCCP.

Preparation and photoelectric performance of ITO/TiO2/CdS composite thin films

H. Fu, Hai‐tao Yu, Yu-juan Chi, 2008 .

Theoretical studies of three-dimensional potential energy surfaces using neural networks and rotational spectra of the Ar–N2 complex

H. Fu, R. Zheng, Limin Zheng, 2016 .

Theoretical study on the singlet potential energy surface of CHOP system

Zesheng Li, Xuri Huang, Chia-Chung Sun, 2002 .

Theoretical studies on structures and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, [Ru(Hmtcterpy)(NCS)3]n- (m = 0, 1, 2, and 3; n = 4, 3, 2, and 1).

Tao Liu, Ming-Xia Li, Hong-Gang Fu, 2008, Inorganic chemistry.

Isotope effects on the dynamics properties and reaction mechanism in the Cl(2P) + NH3 reaction: a QCT and QM study

Minghui Yang, H. Fu, M. Monge-Palacios, 2013, Theoretical Chemistry Accounts.

Electronic structures and spectroscopic properties of mono- and binuclear d(8) complexes: a theoretical exploration on promising phosphorescent materials.

Hong-Xing Zhang, Qingjiang Pan, H. Fu, 2007, The journal of physical chemistry. A.

Theoretical insight into electronic structures and spectroscopic properties of [Pt2(pop)4]4-, [Pt2(pcp)4]4-, and related derivatives (pop = P2O5H2(2-) and pcp = P2O4CH4(2-)).

Hong-Xing Zhang, Qingjiang Pan, H. Fu, 2006, Inorganic chemistry.

Insight into the stability and structural properties of HPS3 isomers from density functional theory computations

Chia-Chung Sun, H. Fu, Hai‐tao Yu, 2004 .

Method and basis set dependence of the energetics and geometries of HC(S)CN+ and HCNCS+

W. Kan, H. Fu, Hai‐tao Yu, 2007 .

Theoretical investigation on the protonation reactions and products of the stable [N,C,C,S] isomers

Wei Kan, Hai-Tao Yu, Hong-Gang Fu, 2007, J. Comput. Chem..

Structures and stabilities of HPS2 isomers

Zesheng Li, Xuri Huang, H. Fu, 2002 .

Isovalent Gold(I), -(II), and -(III) and Mixed-Valent Gold(I)/Gold(III) Phosphorus Ylide Complexes. Combined ab Initio and Density Functional Study of Electronic Structures and Spectroscopic Properties

Hong-Xing Zhang, Qingjiang Pan, H. Fu, 2008 .

Lattice dynamics investigation of different transition behaviors of cubic BaTiO3 and SrTiO3 by first-principles calculations

H. Fu, Hai‐tao Yu, Ying Xie, 2008 .

Computational study on structures, isomerization, and dissociation of [Si,N,C,S]+ isomers

Zesheng Li, Xuri Huang, H. Fu, 2002 .

Computational study on structures, isomerization and dissociation of [Si, N, C, O]+ isomers

Yi‐hong Ding, Zesheng Li, Xuri Huang, 2001 .

Structure and Stability of Interstellar Molecule C3S

Zesheng Li, Xuri Huang, H. Fu, 2010 .

Combined DFT, QCISD(T), and G2 mechanism investigation for the reactions of carbon monophosphide CP with unsaturated hydrocarbons allene CH2CCH2 and methylacetylene CH3CCH

Hua Zhong, Yan-Li Zhao, Wei Kan, 2007, J. Comput. Chem..

A theoretical study on the radical–neutral reaction mechanism of carbon monophosphide, CP, with acetylene, C2H2

W. Kan, Yan-Li Zhao, H. Fu, 2006 .

Theoretical Study on the Reaction Mechanism of Ketene CH2CO with Isocyanate NCO Radical

W. Kan, H. Fu, Hai‐tao Yu, 2007 .

Structures and stability of isomers of [Si,N,N,P] system

W. Kan, H. Fu, Hai‐tao Yu, 2004 .

Theoretical studies of the N2O van der Waals dimer: ab initio potential energy surface, intermolecular vibrations and rotational transition frequencies.

Minghui Yang, H. Fu, Soo-Y. Lee, 2011, The Journal of chemical physics.

Rotational spectra of the Ne-N-2 complex based on a new three-dimensional potential energy surface using neural networks

H. Fu, R. Zheng, R. Zheng, 2016 .

Theoretical study on the mechanism of the HF + HOBO reaction

H. Fu, Hai‐tao Yu, Ming-xia Li, 2003 .

First‐principles calculations of the stability and electronic properties of the PbTiO3 (110) polar surface

Ying Xie, Guo-Xu Zhang, Hai-Tao Yu, 2009, J. Comput. Chem..

Theoretical studies on metal-metal interaction, excited states, and spectroscopic properties of binuclear Au-Au, Au-Rh, and Rh-Rh complexes with diphosphine ligands: buildup of complexity from monomers to dimers.

Hong-Xing Zhang, Qingjiang Pan, Yuanru Guo, 2009, Inorganic chemistry.

A first-principles investigation into the ferroelectric and antiferrodistortive instabilities of cubic SrTiO3

H. Fu, Hai‐tao Yu, Ying Xie, 2007 .

Structures and Stability of HNS2 Isomers

Zesheng Li, Xuri Huang, H. Fu, 2010 .

Accelerating modified Shepard interpolated potential energy calculations using graphics processing units

Hong Fu, Limin Zheng, Minghui Yang, 2013, Comput. Phys. Commun..

Structures and stabilities of HPO2 isomers

Zesheng Li, H. Fu, Hai‐tao Yu, 2002 .

Effects of Sn dopant on the photoinduced charge property and photocatalytic activity of TiO2 nanoparticles

Shudan Li, L. Jing, H. Fu, 2006 .

The Structures and Stability of HNOS Isomers

H. Fu, Yu-juan Chi, Xin Bai-fu, 2010 .

Field emission properties of capped carbon nanotubes doped by alkali metals: a theoretical investigation

Lei Jin, H. Fu, Hai‐tao Yu, 2012 .

Preparation of Porous SiO 2 -TiO 2 Nanocomposites and Their Photocatalytic Activity: Preparation of Porous SiO 2 -TiO 2 Nanocomposites and Their Photocatalytic Activity

Jia Zhou, L. Jing, H. Fu, 2009 .