-
1
-
-
0006483573
-
2 films
-
2 Films Nature 1991, 353, 737-740 (Pubitemid 21912607)
-
(1991)
Nature
, vol.353
, Issue.6346
, pp. 737-740
-
-
O'Regan, B.1
Gratzel, M.2
-
2
-
-
12044251185
-
Water-Purification by Semiconductor Photocatalysis
-
Mills, A.; Davies, R. H.; Worsley, D. Water-Purification by Semiconductor Photocatalysis Chem. Soc. Rev. 1993, 22, 417-425
-
(1993)
Chem. Soc. Rev.
, vol.22
, pp. 417-425
-
-
Mills, A.1
Davies, R.H.2
Worsley, D.3
-
4
-
-
0000173087
-
Interaction of carbon monoxide with anatase surfaces at high temperatures: Optimization of a carbon monoxide sensor
-
Dutta, P. K.; Ginwalla, A.; Hogg, B.; Patton, B. R.; Chwieroth, B.; Liang, Z.; Gouma, P.; Mills, M.; Akbar, S. Interaction of Carbon Monoxide with Anatase Surfaces at High Temperatures: Optimization of a Carbon Monoxide Sensor J. Phys. Chem. B 1999, 103, 4412-4422 (Pubitemid 129702712)
-
(1999)
Journal of Physical Chemistry B
, vol.103
, Issue.21
, pp. 4412-4422
-
-
Dutta, P.K.1
Ginwalla, A.2
Hogg, B.3
Patton, B.R.4
Chwieroth, B.5
Liang, Z.6
Gouma, P.7
Mills, M.8
Akbar, S.9
-
5
-
-
0027606718
-
Platinum-titania oxygen sensors and their sensing mechanisms
-
Xu, Y.; Yao, K.; Zhou, X.; Cao, Q. Platinum-Titanium Oxygen Sensors and Their Sensing Mechanisms Sens. Actuators, B 1993, 14, 492-494 (Pubitemid 23711724)
-
(1993)
Sensors and Actuators, B: Chemical
, vol.B14
, Issue.3 PART 2
, pp. 492-494
-
-
Xu Yulong1
Yao Kui2
Zhou Xiaohua3
-
6
-
-
17644430999
-
Comparison of pure and mixed coating materials for AR coatings for use by reactive evaporation on glass and plastic lenses
-
DOI 10.1016/S0040-6090(99)00305-3
-
Selhofer, H.; Muller, R. Comparison of Pure and Mixed Coating Materials for AR Coatings for Use by Reactive Evaporation on Glass and Plastic Lenses Thin Solid Films 1999, 351, 180-183 (Pubitemid 32213752)
-
(1999)
Thin Solid Films
, vol.351
, Issue.1-2
, pp. 180-183
-
-
Selhofer, H.1
Muller, R.2
-
7
-
-
0029408455
-
Photooxidative Self-Cleaning Transparent Titanium Dioxide Films on Glass
-
Paz, Y.; Luo, Z.; Rabenberg, A.; Heller, A. Photooxidative Self-Cleaning Transparent Titanium Dioxide Films on Glass J. Mater. Res. 1995, 10, 2842-2848
-
(1995)
J. Mater. Res.
, vol.10
, pp. 2842-2848
-
-
Paz, Y.1
Luo, Z.2
Rabenberg, A.3
Heller, A.4
-
8
-
-
0030110849
-
Bone Response to Surface-Modified Titanium Implants: Studies on the Early Tissue Response to Machined and Electropolished Implants with Different Oxide Thicknesses
-
Larsson, C.; Thomsen, P.; Aronsson, B. O.; Rodahl, M.; Lausmaa, J.; Kasemo, B.; Ericson, L. E. Bone Response to Surface-Modified Titanium Implants: Studies on the Early Tissue Response to Machined and Electropolished Implants with Different Oxide Thicknesses Biomaterials 1996, 17, 605-616
-
(1996)
Biomaterials
, vol.17
, pp. 605-616
-
-
Larsson, C.1
Thomsen, P.2
Aronsson, B.O.3
Rodahl, M.4
Lausmaa, J.5
Kasemo, B.6
Ericson, L.E.7
-
9
-
-
0037233037
-
The Surface Science of Titanium Dioxide
-
Diebold, U. The Surface Science of Titanium Dioxide Surf. Sci. Rep. 2003, 48, 53-229
-
(2003)
Surf. Sci. Rep.
, vol.48
, pp. 53-229
-
-
Diebold, U.1
-
11
-
-
0000734299
-
2(110) Single Crystals
-
2(110) Single Crystals J. Phys. Chem. B 2000, 104, 4944-4950
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 4944-4950
-
-
Li, M.1
Hebenstreit, W.2
Diebold, U.3
Tyryshkin, A.M.4
Bowman, M.K.5
Dunham, G.G.6
Henderson, M.A.7
-
13
-
-
0038555678
-
Defect Chemistry and Semiconducting Properties of Titanium Dioxide: II. Defect Diagrams
-
Bak, T.; Nowonty, J.; Rekas, M.; Sorrell, C. C. Defect Chemistry and Semiconducting Properties of Titanium Dioxide: II. Defect Diagrams J. Phys. Chem. Solids 2003, 64, 1057-1067
-
(2003)
J. Phys. Chem. Solids
, vol.64
, pp. 1057-1067
-
-
Bak, T.1
Nowonty, J.2
Rekas, M.3
Sorrell, C.C.4
-
15
-
-
0029518559
-
2 Surfaces: Diffusion of Oxygen to the Surface or Titanium to the Bulk
-
2 Surfaces: Diffusion of Oxygen to the Surface or Titanium to the Bulk Surf. Sci. 1995, 343, L1156-L1160
-
(1995)
Surf. Sci.
, vol.343
-
-
Henderson, M.A.1
-
17
-
-
0033359941
-
2(110) surface: A comprehensive study
-
DOI 10.1016/S0039-6028(99)00720-7
-
2(110) Surface: A Comprehensive Study Surf. Sci. 1999, 437, 173-190 (Pubitemid 30500582)
-
(1999)
Surface Science
, vol.437
, Issue.1
, pp. 173-190
-
-
Li, M.1
Hebenstreit, W.2
Gross, L.3
Diebold, U.4
Henderson, M.A.5
Jennison, D.R.6
Schultz, P.A.7
Sears, M.P.8
-
18
-
-
5844387676
-
Dynamic visualization of a metal-oxide-surface/gas-phase reaction: Time-resolved observation by scanning tunneling microscopy at 800 K
-
Onishi, H.; Iwasawa, Y. Dynamic Visualization of a Metal-Oxide-Surface/ Gas-Phase Reaction: Time-Resolved Observation by Scanning Tunneling Microscopy at 800 K Phys. Rev. Lett. 1996, 76, 791-794 (Pubitemid 126601922)
-
(1996)
Physical Review Letters
, vol.76
, Issue.5
, pp. 791-794
-
-
Onishi, H.1
Iwasawa, Y.2
-
19
-
-
0010880625
-
2(110) Surfaces Demonstrated by High Temperature STM Movies
-
2(110) Surfaces Demonstrated by High Temperature STM Movies New J. Phys. 1999, 1, 1.1-1.2
-
(1999)
New J. Phys.
, vol.1
, pp. 11-12
-
-
Stone, P.1
Bennett, R.A.2
Bowker, M.3
-
20
-
-
46449090235
-
The role of interstitial sites in the Ti3d defect state in the band gap of titania
-
DOI 10.1126/science.1159846
-
Wendt, S.; Sprunger, P. T.; Lira, E.; Madsen, G. K. H.; Li, Z. S.; Hansen, J. O.; Matthiesen, J.; Blekinge-Rasmussen, A.; Laegsgaard, E.; Hammer, B. et al. The Role of Interstitial Sites in the Ti3d Defect State in the Band Gap of Titania Science 2008, 320, 1755-1759 (Pubitemid 351931286)
-
(2008)
Science
, vol.320
, Issue.5884
, pp. 1755-1759
-
-
Wendt, S.1
Sprunger, P.T.2
Lira, E.3
Madsen, G.K.H.4
Li, Z.5
Hansen, J.O.6
Matthiesen, J.7
Blekinge-Rasmussen, A.8
Laegsgaard, E.9
Hammer, B.10
Besenbacher, F.11
-
24
-
-
0028444697
-
2(110) Surface-STM Study with Atomic-Scale Resolution
-
L789
-
2(110) Surface-STM Study with Atomic-Scale Resolution Surf. Sci. 1994, 313, L783-L789
-
(1994)
Surf. Sci.
, vol.313
, pp. 783
-
-
Onishi, H.1
Iwasawa, Y.2
-
25
-
-
0032141973
-
2(110)(1 × 1) surface and their reaction with oxygen: A scanning tunneling microscopy study
-
PII S0039602898003562
-
2(110)(1 × 1) Surface and Their Reaction with Oxygen: A Scanning Tunneling Microscopy Study Surf. Sci. 1998, 411, 137-153 (Pubitemid 128431148)
-
(1998)
Surface Science
, vol.411
, Issue.1-2
, pp. 137-153
-
-
Diebold, U.1
Lehman, J.2
Mahmoud, T.3
Kuhn, M.4
Leonardelli, G.5
Hebenstreit, W.6
Schmid, M.7
Varga, P.8
-
26
-
-
25144484338
-
Selective Attachment of Benzaldehyde on Si(100)-2 × 1: Structure, Selectivity, and Mechanism
-
Huang, H. G.; Zhang, Y. P.; Cai, Y. H.; Huang, J. Y. Selective Attachment of Benzaldehyde on Si(100)-2 × 1: Structure, Selectivity, and Mechanism J. Chem. Phys. 2005, 123, 104702-1-104702-6
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 1047021-1047026
-
-
Huang, H.G.1
Zhang, Y.P.2
Cai, Y.H.3
Huang, J.Y.4
-
32
-
-
33748619760
-
2(110)-(1 × 1) surface by means of STM, TDS, XPS and MD calculation in relation to surface acid-base interaction
-
2(110)-(1 × 1) Surface by Means of STM, TDS, XPS and MD Calculation in Relation to Surface Acid-Base Interaction Faraday Trans. 1998, 94, 161-166 (Pubitemid 128758314)
-
(1998)
Journal of the Chemical Society - Faraday Transactions
, vol.94
, Issue.1
, pp. 161-166
-
-
Suzuki, S.1
Yamaguchi, Y.2
Onishi, H.3
Sasaki, T.4
Fukui, K.-I.5
Iwasawa, Y.6
-
36
-
-
0029346498
-
Estimating Surface Diffusion Coefficients
-
Seebauer, E. G.; Allen, C. E. Estimating Surface Diffusion Coefficients Prog. Surf. Sci. 1995, 49, 265-330
-
(1995)
Prog. Surf. Sci.
, vol.49
, pp. 265-330
-
-
Seebauer, E.G.1
Allen, C.E.2
-
37
-
-
28244484756
-
2: A combined high-resolution STM and DFT study
-
DOI 10.1016/j.susc.2005.08.041, PII S0039602805010629
-
2: A Combined High-Resolution STM and DFT Study Surf. Sci. 2005, 598, 226-245 (Pubitemid 41706170)
-
(2005)
Surface Science
, vol.598
, Issue.1-3
, pp. 226-245
-
-
Wendt, S.1
Schaub, R.2
Matthiesen, J.3
Vestergaard, E.K.4
Wahlstrom, E.5
Rasmussen, M.D.6
Thostrup, P.7
Molina, L.M.8
Laegsgaard, E.9
Stensgaard, I.10
Hammer, B.11
Besenbacher, F.12
-
38
-
-
77953351459
-
2(110)
-
2(110) Phys. Chem. Chem. Phys. 2010, 12, 6337-6344
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 6337-6344
-
-
Du, Y.G.1
Deskins, N.A.2
Zhang, Z.R.3
Dohnalek, Z.4
Dupuis, M.5
Lyubinetsky, I.6
-
39
-
-
77953350807
-
Study of Polycyclic Aromatic Hydrocarbons Adsorbed on Graphene Using Density Functional Theory with Empirical Dispersion Correction
-
Ershova, O. V.; Lillestolen, T. C.; Bichoutskaia, E. Study of Polycyclic Aromatic Hydrocarbons Adsorbed on Graphene Using Density Functional Theory with Empirical Dispersion Correction Phys. Chem. Chem. Phys. 2010, 12, 6483-6491
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 6483-6491
-
-
Ershova, O.V.1
Lillestolen, T.C.2
Bichoutskaia, E.3
-
41
-
-
0034507416
-
2(0 0 1)
-
DOI 10.1016/S0920-5861(00)00444-2
-
2(001) Catal. Today 2000, 63, 43-51 (Pubitemid 32034044)
-
(2000)
Catalysis Today
, vol.63
, Issue.1
, pp. 43-51
-
-
Sherrill, A.B.1
Lusvardi, V.S.2
Eng Jr., J.3
Chen, J.G.4
Barteau, M.A.5
-
42
-
-
53549098837
-
Carbon-Carbon Bond Formation on Model Titanium Oxide Surfaces: Identification of Surface Reaction Intermediates by High-Resolution Electron Energy Loss Spectroscopy
-
Qiu, H.; Idriss, H.; Wang, Y.; Wöll, C. Carbon-Carbon Bond Formation on Model Titanium Oxide Surfaces: Identification of Surface Reaction Intermediates by High-Resolution Electron Energy Loss Spectroscopy J. Phys. Chem. C 2008, 112, 9828-9834
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 9828-9834
-
-
Qiu, H.1
Idriss, H.2
Wang, Y.3
Wöll, C.4
-
43
-
-
0031380623
-
2(110) surface studied using STM, ESDIAD and LEED
-
PII S0039602897006250
-
2(110) Surface Studied Using STM, ESDIAD and LEED Surf. Sci. 1997, 393, 1-11 (Pubitemid 127377347)
-
(1997)
Surface Science
, vol.393
, Issue.1-3
, pp. 1-11
-
-
Guo, Q.1
Cocks, I.2
Williams, E.M.3
-
44
-
-
0030572365
-
Temperature-jump STM observation of reaction intermediate on metal-oxide surfaces
-
Onishi, H.; Yamaguchi, Y.; Fukui, K.; Iwasawa, Y. Temperature-Jump STM Observation of Reaction Intermediate on Metal-Oxide Surfaces J. Phys. Chem. 1996, 100, 9582-9584 (Pubitemid 126788681)
-
(1996)
Journal of Physical Chemistry
, vol.100
, Issue.23
, pp. 9582-9584
-
-
Onishi, H.1
Yamaguchi, Y.2
Fukui, K.-I.3
Iwasawa, Y.4
-
46
-
-
0009147961
-
The Measurement of Bond Lengths of Conjugated Molecules of Carbon
-
Robertson, J. M. The Measurement of Bond Lengths of Conjugated Molecules of Carbon Proc. R. Soc. London 1951, 207, 101-110
-
(1951)
Proc. R. Soc. London
, vol.207
, pp. 101-110
-
-
Robertson, J.M.1
-
47
-
-
44949146389
-
Do Special Noncovalent Pi-Pi Stacking Interactions Really Exist?
-
Grimme, S. Do Special Noncovalent Pi-Pi Stacking Interactions Really Exist? Angew. Chem., Int. Ed. 2008, 47, 3430-3434
-
(2008)
Angew. Chem., Int. Ed.
, vol.47
, pp. 3430-3434
-
-
Grimme, S.1
-
48
-
-
34047109564
-
WSXM: A Software for Scanning Probe Microscopy and a Tool for Nanotechnology
-
Horcas, I.; Fernandez, R.; Gomez-Rodriguez, J. M.; Colchero, J.; Gomez-Herrero, J.; Baro, A. M. WSXM: A Software for Scanning Probe Microscopy and a Tool for Nanotechnology Rev. Sci. Instrum. 2007, 78, 013705-1-013705-8
-
(2007)
Rev. Sci. Instrum.
, vol.78
, pp. 0137051-0137058
-
-
Horcas, I.1
Fernandez, R.2
Gomez-Rodriguez, J.M.3
Colchero, J.4
Gomez-Herrero, J.5
Baro, A.M.6
-
49
-
-
12844286241
-
Ab Initio Molecular Dynamics for Liquid Metals
-
Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Liquid Metals J. Phys. Rev. B 1993, 47, 558-561
-
(1993)
J. Phys. Rev. B
, vol.47
, pp. 558-561
-
-
Kresse, G.1
Hafner, J.2
-
50
-
-
35949007146
-
Ab Initio Molecular Dynamics for Open-Shell Transition Metals
-
Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Open-Shell Transition Metals J. Phys. Rev. B 1993, 48, 13115-13118
-
(1993)
J. Phys. Rev. B
, vol.48
, pp. 13115-13118
-
-
Kresse, G.1
Hafner, J.2
-
51
-
-
0011236321
-
From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
-
Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, D.2
-
52
-
-
33645898818
-
Accurate and Simple Analytical Representation of the Electron-Gas Correlation Energy
-
Perdew, J. P.; Wang, Y. Accurate and Simple Analytical Representation of the Electron-Gas Correlation Energy Phys. Rev. B 1992, 45, 13244-13249
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244-13249
-
-
Perdew, J.P.1
Wang, Y.2
-
53
-
-
2842565972
-
Generalized Gradient Approximation for the Exchange-Correlation Hole of a Many-Electron System
-
Perdew, J. P.; Burke, K.; Wang, Y. Generalized Gradient Approximation for the Exchange-Correlation Hole of a Many-Electron System Phys. Rev. B 1996, 54, 16533-16539
-
(1996)
Phys. Rev. B
, vol.54
, pp. 16533-16539
-
-
Perdew, J.P.1
Burke, K.2
Wang, Y.3
-
54
-
-
34249815219
-
Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges
-
DOI 10.1016/j.surfrep.2007.03.002, PII S0167572907000295
-
Ganguglia-Pirovano, M. V.; Hoffman, A.; Sauer, J. Oxygen Vacancies in Transition Metal and Rare Earth Oxides: Current State of Understanding and Remaining Challenges Surf. Sci. Rep. 2007, 62, 219-270 (Pubitemid 46856734)
-
(2007)
Surface Science Reports
, vol.62
, Issue.6
, pp. 219-270
-
-
Ganduglia-Pirovano, M.V.1
Hofmann, A.2
Sauer, J.3
-
55
-
-
43949110249
-
Modeling Doped and Defective Oxides in Catalysis with Density Functional Theory Methods: Room for Improvements
-
Pacchioni, G. Modeling Doped and Defective Oxides in Catalysis with Density Functional Theory Methods: Room for Improvements J. Chem. Phys. 2008, 128, 182505-1-182505-10
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 1825051-18250510
-
-
Pacchioni, G.1
-
56
-
-
34247401748
-
2 Rutile and Anatase Polytypes: Performances of Different Exchange-Correlation Functionals
-
2 Rutile and Anatase Polytypes: Performances of Different Exchange-Correlation Functionals J. Chem. Phys. 2007, 126, 154703-1-154703-12
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 1547031-15470312
-
-
Labat, F.1
Baranek, P.2
Domain, C.3
Minot, C.4
Adamo, C.5
-
58
-
-
54849426021
-
2: Comparison of Standard GGA, GGA plus U, and Hybrid DFT Calculations
-
2: Comparison of Standard GGA, GGA plus U, and Hybrid DFT Calculations J. Chem. Phys. 2008, 129, 154113-1-154113-9
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 1541131-1541139
-
-
Finazzi, E.1
Di Valentin, C.2
Pacchioni, G.3
Selloni, A.4
-
59
-
-
34047091946
-
-
Springer-Verlag: Berlin, Vol
-
Cora, F.; Alfredsson, M.; Mallia, G.; Middlemiss, D. S.; Mackrodt, W. C.; Dovesi, R.; Orlando, R. Principles and Applications of Density Functional Theory in Inorganic Chemistry II; Springer-Verlag: Berlin, 2004; Vol. 113.
-
(2004)
Principles and Applications of Density Functional Theory in Inorganic Chemistry II
, vol.113
-
-
Cora, F.1
Alfredsson, M.2
Mallia, G.3
Middlemiss, D.S.4
MacKrodt, W.C.5
Dovesi, R.6
Orlando, R.7
-
60
-
-
43049085214
-
Hybrid Functionals Applied to Extended Systems
-
Marsman, M.; Paier, J.; Stroppa, A.; Kresse, G. Hybrid Functionals Applied to Extended Systems J. Phys.: Condens. Mater. 2008, 20, 064201-1-064201-9
-
(2008)
J. Phys.: Condens. Mater.
, vol.20
, pp. 0642011-0642019
-
-
Marsman, M.1
Paier, J.2
Stroppa, A.3
Kresse, G.4
-
61
-
-
43049151859
-
Accurate Band Gaps and Dielectric Properties from One-Electron Theories
-
Kresse, G.; Shishkin, M.; Marsman, M.; Paier, J. Accurate Band Gaps and Dielectric Properties from One-Electron Theories J. Phys.: Condens. Mater. 2008, 20, 064203
-
(2008)
J. Phys.: Condens. Mater.
, vol.20
, pp. 064203
-
-
Kresse, G.1
Shishkin, M.2
Marsman, M.3
Paier, J.4
-
62
-
-
63249120708
-
2(110) Surface: Oxygen Depletion, Hydroxylation, Hydrogen Migration, and Water Adsorption
-
2(110) Surface: Oxygen Depletion, Hydroxylation, Hydrogen Migration, and Water Adsorption Phys. Rev. B 2009, 79, 115410-1-115410-16
-
(2009)
Phys. Rev. B
, vol.79
, pp. 1154101-11541016
-
-
Kowalski, P.M.1
Meyer, B.2
Marx, D.3
-
63
-
-
63649107808
-
The Electronic Structure of Oxygen Atom Vacancy and Hydroxyl Impurity Defects on Titanium Dioxide (110) Surface
-
Minato, T.; Sainoo, Y.; Kim, Y.; Kato, H. S.; Aika, K.; Kawai, M.; Zhao, J.; Petek, H.; Huang, T.; He, W. et al. The Electronic Structure of Oxygen Atom Vacancy and Hydroxyl Impurity Defects on Titanium Dioxide (110) Surface J. Chem. Phys. 2009, 130, 124502-1-124502-11
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 1245021-12450211
-
-
Minato, T.1
Sainoo, Y.2
Kim, Y.3
Kato, H.S.4
Aika, K.5
Kawai, M.6
Zhao, J.7
Petek, H.8
Huang, T.9
He, W.10
-
64
-
-
33846240422
-
2 rutile (1 1 0) single crystal face: XPS vs. periodic DFT
-
DOI 10.1016/j.susc.2006.10.015, PII S003960280601079X
-
2 Rutile (110) Single Crystal Face: XPS vs. Periodic DFT Surf. Sci. 2007, 601, 518-527 (Pubitemid 46098935)
-
(2007)
Surface Science
, vol.601
, Issue.2
, pp. 518-527
-
-
Perron, H.1
Vandenborre, J.2
Domain, C.3
Drot, R.4
Roques, J.5
Simoni, E.6
Ehrhardt, J.-J.7
Catalette, H.8
-
66
-
-
1842816907
-
Special Points for Brillouin-Zone Integrations
-
Monkhorst, H. J. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188-5192
-
-
Monkhorst, H.J.1
-
67
-
-
33744607543
-
Theory of the Scanning Tunneling Microscope
-
Tersoff, J.; Hamann, D. R. Theory of the Scanning Tunneling Microscope Phys. Rev. B 1985, 31, 805-813
-
(1985)
Phys. Rev. B
, vol.31
, pp. 805-813
-
-
Tersoff, J.1
Hamann, D.R.2
-
68
-
-
79951931598
-
-
Retrieved from
-
Retrieved from http://cms.mpi.univie.ac.at/odubay/p4vasp-site/news.php.
-
-
-
-
69
-
-
0033553133
-
What do the Kohn-Sham orbitals and eigenvalues mean?
-
DOI 10.1021/ja9826892
-
Stowasser, R.; Hoffmann, R. What Do the Kohn-Sham Orbitals and Eigenvalues Mean? J. Am. Chem. Soc. 1999, 121, 3414-3420 (Pubitemid 29190907)
-
(1999)
Journal of the American Chemical Society
, vol.121
, Issue.14
, pp. 3414-3420
-
-
Stowasser, R.1
Hoffmann, R.2
|