引用次数
引用: 22,842
H-指数: 76
I10-指数 : 176
出版物: 272
AB INITIO STRUCTURES FOR 90$^{irc}$-TWISTED {\em s-trans}-1,3-BUTADIENE AND FOR CYCLOOCTATETRENE; THE NAKED sp$^{2}$-sp$^{2}$ BOND AND OTHER DISCLOSURES ABOUT EQUILBRIUM STRUCTURES OF BUTADIENE
David Feller , Norman C. Craig , Albert R. Matlin
Ohio State University
2008
SEMI-EXPERIMENTAL EQUILIBRIUM STRUCTURES; RESULTS FROM DIFFERENT CALCULATIONS OF ALPHAS AND COMPARISON WITH THEORY
P. Groner , Donald C. McKean , David Feller , Norman C. Craig
Ohio State University
2007
Object-oriented database support for computational chemistry
David Maier , Judith Bayard Cushing , D. Michael De Vaney , Meenakshi Rao
statistical and scientific database management 58 -76
10
1992
The Reactivity of HNO x Species in Solvent-Free, Aqueous Media and Biological Systems
David A. Dixon , David Feller , Chang-Guo Zhan , Joseph S. Francisco
APS
2002
An extended basis set ab initio study of Li+(H2O)n, n=1–6
David Feller , Eric D. Glendening , Rick A. Kendall , Kirk A. Peterson
Journal of Chemical Physics 100 ( 7) 4981 -4997
111
1994
Ab InitioCI Calculations of the Energy Difference between Trimethylenemethane and Butadiene
David Feller , Ernest R. Davidson , Weston Thatcher Borden
Israel Journal of Chemistry 23 ( 1) 105 -108
14
1983
Sources of error in electronic structure calculations on small chemical systems
David Feller , Kirk A. Peterson , T. Daniel Crawford
The Journal of Chemical Physics 124 ( 5) 054107 -054107
149
2006
Ab initio multireference CI determinations of the electron affinity of carbon and oxygen
David Feller , Ernest R. Davidson
Journal of Chemical Physics 82 ( 9) 4135 -4141
53
1985
A theoretical study of paths for decomposition and rearrangement of dihydroxycarbene
David Feller , Weston Thatcher Borden , Ernest R. Davidson
Journal of Computational Chemistry 1 ( 2) 158 -166
24
1980
The singlet and triplet state rotational potential surfaces for dihydroxycarbene
David Feller , Weston Thatcher Borden , Ernest R. Davidson
Journal of Chemical Physics 71 ( 12) 4987 -4992
39
1979
Heats of formation and ionization energies of NHx, x=0–3
David A. Dixon , David Feller , Kirk A. Peterson
Journal of Chemical Physics 115 ( 6) 2576 -2581
96
2001
Accurate Calculations of the Electron Affinity and Ionization Potential of the Methyl Radical
David A. Dixon , David Feller , Kirk A. Peterson
Journal of Physical Chemistry A 101 ( 49) 9405 -9409
52
1997
Theoretical Study of Cation/Ether Complexes: The Alkali Metals and Dimethyl Ether
Susan E. Hill , Eric D. Glendening , David Feller
Journal of Physical Chemistry A 101 ( 34) 6125 -6131
44
1997
A THEORETICAL CASE STUDY OF SUBSTITUENT EFFECTS AND MICROSOLVATION ON THE BINDING SPECIFICITY OF CROWN ETHERS
David Feller , Mark A. Thompson , Rick A. Kendall
Journal of Physical Chemistry A 101 ( 39) 7292 -7298
30
1997
Theoretical Study of Cation/Ether Complexes: Alkali Metal Cations with 1,2-Dimethoxyethane and 12-Crown-4
Susan E. Hill , David Feller , Eric D. Glendening
Journal of Physical Chemistry A 102 ( 21) 3813 -3819
71
1998
Strength of the Benzene−Water Hydrogen Bond
David Feller
Journal of Physical Chemistry A 103 ( 38) 7558 -7561
114
1999
The Molecular Structure and Ionization Potential of Si2: The Role of the Excited States in the Photoionization of Si2
David A. Dixon , David Feller , Kirk A. Peterson , James L. Gole
Journal of Physical Chemistry A 104 ( 11) 2326 -2332
23
2000
Theoretical Conformational Analysis of Thiacrown Macrocycles
Susan E. Hill , David Feller
Journal of Physical Chemistry A 104 ( 3) 652 -660
58
2000
Predicting the heats of formation of model hydrocarbons up to benzene
David Feller , David A. Dixon
Journal of Physical Chemistry A 104 ( 13) 3048 -3056
118
2000
Infrared Spectra of CF2═CHD and CF2═CD2: Scaled Quantum-Chemical Force Fields and an Equilibrium Structure for 1,1-Difluoroethylene
Donald C. McKean , Mark M. Law , Peter Groner , Andrew R. Conrad
Journal of Physical Chemistry A 114 ( 34) 9309 -9318
15
2010