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D

David J. Tozer

Durham University

53H指数
197论文数
1.4W被引数
收录论文 68
发表时间
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Classical Reaction Barriers in DFT: An Adiabatic-Connection Perspective
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-12-23
err0
errOAAI
errWibowo-Teale, Andrew M.; Huynh, Bang C.; Helgaker, Trygve; Tozer, David J.
err分享
err收藏
Effective homogeneity of Fermi-Amaldi-containing exchange-correlation functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-22
err1
errOAAI
errTozer, David J.
err分享
err收藏
On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-07
err10
errOAAI
errTaylor, Jack T.; Tozer, David J.; Curchod, Basile F. E.
err分享
err收藏
Incorporation of the Fermi-Amaldi Term into Direct Energy Kohn-Sham Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-01-03
err2
errOAAI
errDillon, Daisy J.; Tozer, David J.
err分享
err收藏
Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2′-yl)-o-carborane
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err32
errOAAI
errJi, Lei; Riese, Stefan; Schmiedel, Alexander; Holzapfel, Marco; Fest, Maximillian; Nitsch, Joern; Curchod, Basile F. E.; Friedrich, Alexandra; Wu, Lin; Al Mamari, Hamad H.; Hammer, Sebastian; Pflaum, Jens; Fox, Mark A.; Tozer, David J.; Finze, Maik; Lambert, Christoph; Marder, Todd B.
err分享
err收藏
Low energy electron impact resonances of anthracene probed by 2D photoelectron imaging of its radical anion
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-04
err18
errOAAI
errMensa-Bonsu, Golda; Lietard, Aude; Tozer, David J.; Verlet, Jan R. R.
err分享
err收藏
New density-functional approximations and beyond: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2020-01-01
err1
PREAI
errBrandenburg, Jan Gerit; Burke, Kieron; Cancio, Antonio; Erhard, Jannis; Fromager, Emmanuel; Ghosal, Abhisek; Gidopoulos, Nikitas; Gori-Giorgi, Paola; Helgaker, Trygve; Hourahine, Ben; Jacob, Christoph R.; Kooi, Derk; Maitra, Neepa; Mulay, Manasi R.; Pernal, Katarzyna; Pribram-Jones, Aurora; Reining, Lucia; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Skylaris, Chris-Kriton; Teale, Andrew M.; Tozer, David; Truhlar, Donald G.; Yang, Weitao
err分享
err收藏
Photoelectron spectroscopy of para-benzoquinone cluster anions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-11-26
err6
errOAAI
errMensa-Bonsu, Golda; Wilson, Mark R.; Tozer, David J.; Verlet, Jan R. R.
err分享
err收藏
Simple DFT Scheme for Estimating Negative Electron Affinities
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-11-29
err9
errOAAI
errVibert, Christopher P.; Tozer, David J.
err分享
err收藏
Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-01-24
err6
errOAAI
errSharpe, Daniel J.; Levy, Mel; Tozer, David J.
err分享
err收藏
Range-Separation Parameter in Tuned Exchange-Correlation Functionals: Successive Ionizations and the Fukui Function
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-09-27
err10
errOAAI
errGledhill, Jonathan D.; De Proft, Frank; Tozer, David J.
err分享
err收藏
Fractional Electron Loss in Approximate DFT and Hartree-Fock Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-10-08
err44
errOAAI
errPeach, Michael J. G.; Teale, Andrew M.; Helgaker, Trygve; Tozer, David J.
err分享
err收藏
System-dependent exchange-correlation functional with exact asymptotic potential and εHOMO ≈ -I
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-07-09
err13
errOAAI
errGledhill, Jonathan D.; Tozer, David J.
err分享
err收藏
Molecular Binding in Post-Kohn-Sham Orbital-Free DFT
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-11-14
err21
errOAAI
errBorgoo, Alex; Green, James A.; Tozer, David J.
err分享
err收藏
Assessment of Tuning Methods for Enforcing Approximate Energy Linearity in Range-Separated Hybrid Functionals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-09-09
err33
errOAAI
errGledhill, Jonathan D.; Peach, Michael J. G.; Tozer, David J.
err分享
err收藏
Density Scaling of Noninteracting Kinetic Energy Functionals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-04-04
err30
PREAI
errBorgoo, Alex; Tozer, David J.
err分享
err收藏
Benchmarking density-functional theory calculations of NMR shielding constants and spin-rotation constants using accurate coupled-cluster calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-01-11
err157
PREAI
errTeale, Andrew M.; Lutnaes, Ola B.; Helgaker, Trygve; Tozer, David J.; Gauss, Juergen
err分享
err收藏
On the evaluation of the non-interacting kinetic energy in density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-04-09
err8
PREAI
errPeach, Michael J. G.; Griffiths, David G. J.; Tozer, David J.
err分享
err收藏
Effective homogeneity of the exchange-correlation and non-interacting kinetic energy functionals under density scaling
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-01-17
err24
PREAI
errBorgoo, Alex; Teale, Andrew M.; Tozer, David J.
err分享
err收藏
Experimental and Theoretical Studies on Organic D-p-A Systems Containing Three-Coordinate Boron Moieties as both p-Donor and p-Acceptor
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2011-12-30
err85
PREAI
errWeber, Lothar; Eickhoff, Daniel; Marder, Todd B.; Fox, Mark A.; Low, Paul J.; Dwyer, Austin D.; Tozer, David J.; Schwedler, Stefanie; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate
err分享
err收藏

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