F. Tao

发表

Potential energy surfaces for HenNe+ ions: ab initio and diatomics-in-molecule results.

A. Rohrbacher, F. Spiegelman, J. Seong, 2004, The Journal of chemical physics.

Ionic dissociation of hydrogen bromide in water clusters: a computational study

F. Tao, C. Conley, 1999 .

Calculation of bond dissociation energies of diatomic molecules using bond function basis sets with counterpoise corrections

F. Tao, Zhiru Li, Yuh-kang Pan, 1996 .

Ab initio potential energy surface for the HCl dimer

F. Tao, W. Klemperer, 1995 .

Theoretical study on the chemical properties of polybrominated diphenyl ethers.

E. Zeng, F. Tao, Ya-Ying Zhao, 2008, Chemosphere.

Ab initio molecular dynamics studies on the growth of ammonium chloride clusters

J. Yu, F. Tao, Ruo-Zhuang Liu, 2013, Theoretical Chemistry Accounts.

GAS PHASE PROTON TRANSFER REACTION OF NITRIC ACID-AMMONIA AND THE ROLE OF WATER

F. Tao, 1998 .

Theoretical mechanisms and kinetics of the hydrogen abstraction reaction of acetone by chlorine radical

F. Tao, Gerald C. Tiu, 2006 .

A combined experimental and theoretical study of dinitrosyl iron complexes containing chelating bis(diphenyl)phosphinoX (X = benzene, propane and ethylene): X-ray crystal structures and properties influenced by the presence or absence of π-bonds in chelating ligands.

Lijuan Li, F. Tao, L. R. Holloway, 2014, Polyhedron.

Theoretical study on stable small clusters of oxalic acid with ammonia and water.

Qiang Liu, F. Tao, K. Weber, 2014, The journal of physical chemistry. A.

Structure of the sulfuric acid-ammonia system and the effect of water molecules in the gas phase

F. Tao, L. J. Larson, A. Largent, 1999 .

Theoretical Mechanisms and Atmospheric Implications of the Reaction of Methyl Vinyl Ether with the Hydroxyl Radical

F. Tao, Charles Li, 2006 .

Direct homogeneous nucleation of NO2, H2O, and NH3 for the production of ammonium nitrate particles and HONO gas

F. Tao, Baoquan Zhang, 2010 .

Structure, binding energy, and equilibrium constant of the nitric acid‐Water complex

D. Nelson, F. Tao, K. Higgins, 1996 .

Density Functional Studies of the Formation of Nitrous Acid from the Reaction of Nitrogen Dioxide and Water Vapor

F. Tao, Zhiru Li, Arthur Chou, 1999 .

DFT Investigation of Alkyl Sulfate Surfactant Adsorption at the Air-Water Interface

F. Tao, Zhengwu Wang, Meiling Chen, 2009 .

Equation of state for mixtures of nonpolar fluids: Prediction from experimental constants of the components

E. A. Mason, F. Tao, 1992 .

THEORETICAL MECHANISMS AND KINETICS FOR THE REACTION OF DIMETHYL SULFIDE AND OZONE IN WATER VAPOR

F. Tao, Calina Ciobanu, Angela Shih, 2005 .

Physical origin for the nonlinear sorption of very hydrophobic organic chemicals in a membrane-like polymer film.

B. Mai, E. Zeng, F. Tao, 2007, Chemosphere.

Ab initio study of the π–π interaction in the pyridine dimer: Effects of bond functions

F. Tao, Shujin Li, W.-W. Yao, 2014 .

Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes.

B. Yates, F. Tao, Alireza Ariafard, 2011, Organic & biomolecular chemistry.

Ab initio potential energy curves and binding energies of Ar2 and Mg2

F. Tao, Yuh-kang Pan, 1994 .

The van der Waals potential‐energy surfaces and the structures of ArClF and ArCl2

F. Tao, W. Klemperer, 1992 .

Theoretical study on the ionic dissociation of halosulfonic acids in small water clusters

F. Tao, R. Gu, Shujin Li, 2006 .

MECHANISTIC STUDY OF THE REACTIONS OF SULFUR TRIOXIDE WITH HYDROGEN HALIDES TO FORM SUPERACID AND SURVEY OF HALO-SULFONIC ACID STRENGTH

Julie A. Harris, F. Tao, R. Gu, 2005 .

Hydrolysis of Sulfur Dioxide in Small Clusters of Sulfuric Acid: Mechanistic and Kinetic Study.

Jingjing Liu, F. Tao, Wen-cai Yi, 2015, Environmental science & technology.

Troposphere reactions of hydroxycyclohexadienyl peroxyl radicals with nitric oxide: A DFT study

F. Tao, Shujin Li, Yana Weng, 2013 .

Reaction mechanism and kinetics for the oxidation of dimethyl sulfide by nitrate radical

J. Jee, F. Tao, 2006 .

Asymmetrical linear structures including three-electron hemibonds or other interactions in the (ABA)-type triatomic cations: Ne3+, (He-Ne-He)+, (Ar-Ne-Ar)+, (Ar-O-Ar)+, (He-O-He)+, and (Ar-He-Ar)+.

Chia-Chung Sun, K. Janda, F. Tao, 2005, The Journal of chemical physics.

Accurate calculation of the binding energy of the water dimer

F. Tao, Yi-Bo Wang, Yuh-kang Pan, 1994 .

The use of midbond functions for ab initio calculations of the asymmetric potentials of He-Ne and He-Ar

F. Tao, 1993 .

Theoretical Study of Stable Intermolecular Complexes of Furan with Hydrogen Halides

F. Tao, Yi-Bo Wang, Dong-Mei Huang, 2004 .

Bound States of HeHCN: Ab Initio Calculation and High-Resolution Spectroscopy

F. Tao, W. Klemperer, S. Drucker, 1995 .

The intermolecular potential between an inert gas and a halogen: Prediction and observation of transitions between the linear and T-shaped isomers of HeClF

F. Tao, K. Higgins, W. Klemperer, 1998 .

Prediction of aqueous pKa values of hydroxybenzoic acid using hydrogen-bonded complexes with ammonia

F. Tao, Qing-Zhen Zhu, Shujin Li, 2009 .

Phase Formation and Structure of (RE,M)2Ca0.5Sr0.5Cu2O6+δ (RE=La,Pr, M=Ca,Sr)

F. Tao, G. Che, Shifu Zhu, 1999 .

Ionic dissociation of methanesulfonic acid in small water clusters

Shujin Li, Fu-Ming Tao, F. Tao, 2007 .

Theoretical mechanism for the oxidation of thiourea by hydrogen peroxide in gas state

Weiqun Zhou, F. Tao, Ke Peng, 2007 .

AN AB INITIO STUDY OF THE HNCN RADICAL

F. Tao, W. Klemperer, P. Thaddeus, 1994 .

Theoretical study of hydrogen-bonded complexes of chlorophenols with water or ammonia: Correlations and predictions of pKa values.

F. Tao, R. Deming, J. Han, 2005, The journal of physical chemistry. A.

Digital Integrators-Effect of Slope Sensitivity, Filtering and Baseline Correction Rate on Accuracy

F. Tao, Frederick Baumann, Frank Tao, 1967 .

Interpreting vibrational sum-frequency spectra of sulfur dioxide at the air/water interface: a comprehensive molecular dynamics study.

Fu-Ming Tao, Christopher J Mundy, F. Tao, 2010, The journal of physical chemistry. B.

AN ACCURATE AB INITIO POTENTIAL ENERGY SURFACE OF THE HE-H2 INTERACTION

F. Tao, 1994 .

Mo/ller–Plesset perturbation investigation of the He2 potential and the role of midbond basis functions

Fu-Ming Tao, F. Tao, Yuh-Kang Pan, 1992 .

The Phase Formation, Solid Solution Range and Substitution of La for Ba in La1+zBa2‐zCu3Oy

F. Tao, G. Che, Shifu Zhu, 2000 .

Poor enantioselectivity of the direct aldol reaction catalyzed by (S,S)‐proline dipeptide: A density functional study

Jianfen Fan, F. Tao, Li‐Fen Wu, 2008 .

Theoretical study of the hydrogen abstraction of substituted phenols by nitrogen dioxide as a source of HONO.

F. Tao, K. Weber, Watit Sontising, 2014, The journal of physical chemistry. A.

STRUCTURES, ELECTRONIC PROPERTIES, AND ISOMERIZATION OF THE HCCCO RADICAL

F. Tao, W. Klemperer, A. Cooksy, 1995 .

A millimeter-wave study and astronomical search for the HCCCS radical

E. Gottlieb, F. Tao, P. Thaddeus, 1994 .

A new approach to theab initio energy of the homodesmic reaction for the resonance energy of benzene

F. Tao, Yuh-kang Pan, 1992 .

The HeCl2 potential: Atom–atom and ab initio compared to experiment

K. Janda, F. Tao, N. Halberstadt, 1995 .

Statistical‐mechanical equation of state for nonpolar fluids: Prediction of phase boundaries

E. A. Mason, F. Tao, 1994 .

On the use of bond functions in molecular calculations

F. Tao, 1993 .

Long Range π-Type Hydrogen Bond in the Dimers (HF) 2 , (H 2 O) 2 , and H 2 O−HF

Zesheng Li, Xuri Huang, F. Tao, 2001 .

Ab initio potential energy surface and dynamics of He–CO

Stephen Drucker, William Klemperer, Fu-Ming Tao, 1994 .

Intermolecular potentials and rovibrational energy levels of the Ar complexes with HCN and HCCH

F. Tao, W. Klemperer, S. Drucker, 1995 .

Accurate ab initio potential energy surfaces of Ar–HF, Ar–H2O, and Ar–NH3

F. Tao, W. Klemperer, 1994 .

Structure and Stability of Sulfur Trioxide−Ammonia Clusters with Water: Implications on Atmospheric Nucleation and Condensation

Peter M. Pawlowski, F. Tao, and Steven R. Okimoto, 2003 .

Interactions and Reactions of Sulfur Trioxide, Water, and Ammonia: An ab Initio and Density Functional Theory Study

F. Tao, L. J. Larson, 2001 .

COMMON BULK MODULUS POINT FOR COMPRESSED LIQUIDS

E. A. Mason, F. Tao, A. Boushehri, 1993 .

THE AR-HF INTERMOLECULAR POTENTIAL : OVERTONE SPECTROSCOPY AND AB INITIO CALCULATIONS

C. Healey, F. Tao, W. Klemperer, 1993 .

Theoretical study of proton transfer reactions of halosulfonic acids with ammonia in hydrated clusters

F. Tao, R. Gu, Shujin Li, 2006 .

Solvent Effects of Individual Water Molecules

F. Tao, 2003 .

Validity of the function counterpoise method and ab initio calculations of van der Waals interaction energy

Fu-Ming Tao, F. Tao, Yuh Kang Pan, 1991 .

Theoretical study of molecular structures and properties of the complete series of chlorophenols

F. Tao, R. Deming, J. Han, 2004 .

HYDRATION AND DISSOCIATION OF CALCIUM HYDROXIDE IN WATER CLUSTERS: A QUANTUM CHEMICAL STUDY

F. Tao, C. Men, 2007, Journal of Theoretical and Computational Chemistry.

An accurate determination of three-body intermolecular forces in the helium trimer

F. Tao, 1994 .

Dependence of the Interaction Potentials of Ar‐HF and N2‐HF on HF Bond Length

F. Tao, Huan‐Cheng Chang, Susy N. Tsang, 1995 .

Moeller-Plesset perturbative ab initio calculations of the neon dimer potential

F. Tao, Yuh-kang Pan, 1991 .

A new approach to the efficient basis set for accurate molecular calculations: Applications to diatomic molecules

F. Tao, 1994 .

Ab initio study of the intermolecular potential surface of He–NH3

F. Tao, Zhiru Li, Arthur Chou, 1999 .

Notes on the use of bond functions for ab initio intermolecular energy calculations

F. Tao, 1996 .

An accurate ab initio potential energy surface of HeH2O

F. Tao, Zhiru Li, Yuh-kang Pan, 1996 .

Ab initio potential energy surface and rovibrational energies of Ar⋅ ⋅ ⋅CO

Seokmin Shin, F. Tao, S. Shin, 1996 .

H2S·HOH or H2O·HSH, which is more stable in the water-hydrogen sulfide complex?

F. Tao, Yi-Bo Wang, Yuh-kang Pan, 1994 .

AB INITIO SEARCH FOR THE EQUILIBRIUM STRUCTURE OF THE AMMONIA DIMER

F. Tao, W. Klemperer, 1993 .

The counterpoise method and bond functions in molecular dissociation energy calculations

F. Tao, 1993 .

An accurate ab initio calculation of the Ne2 potential

F. Tao, Yuh-kang Pan, 1992 .

Bond functions, basis set superposition errors and other practical issues with ab initio calculations of intermolecular potentials

Fu-Ming Tao, F. Tao, 2001 .

Ab initio calculation of the interaction potential for the krypton dimer: The use of bond function basis sets

F. Tao, 1999 .

An ab initio study of the intermolecular potential surfaces of HeCH4 and NeCH4

F. Tao, Liangjing Chen, Zhiru Li, 1997 .

Structure and stability of the nitric acid–ammonia complex in the gas phase and in water

M. Nguyen, F. Tao, R. Cazar, 1997 .

Theoretical study of the protonated hydronium radical cation H40+ as a rydberg molecule. The ground state

F. Tao, Yuh-kang Pan, 1989 .

Validity of the function counterpoise method: results from the complete fourth-order MBPT calculations

F. Tao, Yuh-kang Pan, 1992 .

Are rare-gas Cl2 van der Waals molecules linear or T-shaped ?

A. Rohrbacher, F. Tao, N. Halberstadt, 1997 .

Ab initio calculations of the Ar–ethane intermolecular potential energy surface using bond function basis sets

Jian-Dong Zhang, Shu-Jin Li, Fu-Ming Tao, 2013, J. Comput. Chem..

Intermolecular structure and properties of the methanesulfonic acid–ammonia system in small water clusters

W. Qin, F. Tao, Ling-Ling Zhang, 2007 .

Direct formation of solid ammonium chloride particles from HCl and NH3 vapors

F. Tao, 1999 .

Ab Initio Investigation of Proton Transfer in Ammonia−Hydrogen Chloride and the Effect of Water Molecules in the Gas Phase

F. Tao, R. Cazar, and Alan J. Jamka, 1998 .

Proton transfer reaction of hydrogen chloride with ammonia: is it possible in the gas phase?

F. Tao, R. Cazar, A. Jamka, 1998 .

Theoretical study of the quantitative structure-activity relationships for the toxicity of dibenzo-p-dioxins.

Fu-Ming Tao, E. Zeng, F. Tao, 2008, Chemosphere.

Structures, reductive dechlorination, and electron affinities of selected polychlorinated dibenzo-p-dioxins: density functional theory study.

E. Zeng, F. Tao, Ya-Ying Zhao, 2007, The journal of physical chemistry. A.

Decomposition of Methanol on Clean and Oxygen-Predosed V(100): A First-Principles Study

F. Tao, Chao-Zheng He, Jing-yao Liu, 2012 .

Quantum chemical study of potential energy surface in the formation of atmospheric sulfuric acid

F. Tao, S. Soriano, J. Y. Li, 2018, Chinese Journal of Chemical Physics.

Density functional study of structures and interaction hyperpolarizabilities of NH3–HCl–(H2O)n (n=0–4) clusters

F. Tao, Di Wu, Ying Li, 2003 .

Theoretical study of mechanism and kinetics for the addition of hydroxyl radical to phenol

F. Tao, Jian Li, Shujin Li, 2012, Science China Chemistry.

Theoretical Study of the Gaseous Hydrolysis of NO2 in the Presence of Amines.

F. Tao, Xu Wang, Yan-qiu Sun, 2016, The journal of physical chemistry. A.

Hydrolysis of sulfur trioxide to form sulfuric acid in small water clusters

F. Tao, Mayuso Kuno, L. J. Larson, 2000 .

A Density Functional Theory Study of the Gas-Phase Hydrolysis of Dinitrogen Pentoxide

F. Tao, J. A. Snyder, D. Hanway, 1999 .

A density functional theory and ab initio study of the hydrolysis of dinitrogen pentoxide

F. Tao, D. Hanway, 1998, Chemical Physics Letters.

Theoretical study on the structure and stabilities of molecular clusters of oxalic acid with water.

F. Tao, F. Morales, K. Weber, 2012, The journal of physical chemistry. A.

Theoretical study of the gaseous hydrolysis of NO2 in the presence of NH3 as a source of atmospheric HONO

Rongshun Wang, F. Tao, Fengyang Bai, 2016 .

Structure and stability of thiophene–hydrogen halide complexes: An ab initio molecular orbital study

F. Tao, Yi-Bo Wang, L. Visco, 2005 .

Efficient bond function basis set for π‐π interaction energies

Ye Mei, John Z. H. Zhang, Yun Ding, 2008, J. Comput. Chem..

Correlations and predictions of carboxylic acid pKa values using intermolecular structure and properties of hydrogen-bonded complexes.

Fu-Ming Tao, F. Tao, Li Tao, 2008, The journal of physical chemistry. A.

Correlations and predictions of pKa values of fluorophenols and bromophenols using hydrogen-bonded complexes with ammonia.

F. Tao, J. Han, 2006, The journal of physical chemistry. A.

Structure and stability of C13 carbon clusters

S. Kais, F. Tao, R. Bleil, 1994 .

Concanavalin A in a dimeric crystal form: revisiting structural accuracy and molecular flexibility.

B. Rupp, K. Kantardjieff, F. Tao, 2002, Acta crystallographica. Section D, Biological crystallography.

Formation of ammonium halide particles from pure ammonia and hydrogen halide gases: A theoretical study on small molecular clusters (NH3–HX)n (n=1, 2, 4; X=F, Cl, Br)

F. Tao, Bo-Ruei Cherng, 2001 .

Mechanism of the gaseous hydrolysis reaction of SO₂: Effects of NH₃ versus H₂O.

W. Liu, Jingjing Liu, F. Tao, 2015, The journal of physical chemistry. A.

Theoretical study of the gaseous hydrolysis of NO2 in the presence of NH3 as a source of atmospheric HONO

Rongshun Wang, F. Tao, Fengyang Bai, 2016 .

Molecular structures and properties of the complete series of bromophenols: Density functional theory calculations.

F. Tao, Hyunji Lee, J. Han, 2005, The journal of physical chemistry. A.