-
2
-
-
0343389543
-
Reaction and Deactivation Pathways in Xylene Isomerization on Zirconia Modified by Tungsten Oxide
-
Wilson, R. D.; Barton, D. G.; Baertsch, C. D.; Iglesia, E. Reaction and Deactivation Pathways in Xylene Isomerization on Zirconia Modified by Tungsten Oxide J. Catal. 2000, 194, 175-187
-
(2000)
J. Catal.
, vol.194
, pp. 175-187
-
-
Wilson, R.D.1
Barton, D.G.2
Baertsch, C.D.3
Iglesia, E.4
-
3
-
-
33751201519
-
2: Influence of the Initial State of the Support, Titanium Oxyhydroxide, or Titanium Oxide
-
2: Influence of the Initial State of the Support, Titanium Oxyhydroxide, or Titanium Oxide J. Phys. Chem. B 2006, 110, 22608-22617
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 22608-22617
-
-
Lebarbier, V.1
Clet, G.2
Houalla, M.3
-
4
-
-
0001413114
-
2 Catalysts in the Selective Catalytic Reduction of Nitric Oxide by Ammonia
-
2 Catalysts in the Selective Catalytic Reduction of Nitric Oxide by Ammonia Catal. Today 1996, 29, 143-148
-
(1996)
Catal. Today
, vol.29
, pp. 143-148
-
-
Lietti, L.1
Alemany, J.L.2
Forzatti, P.3
Busca, G.4
Ramis, G.5
Giamello, E.6
Bregani, F.7
-
6
-
-
0026743839
-
2 Catalysts for Selective Catalytic Reduction of Nitric-Oxide with Ammonia
-
2 Catalysts for Selective Catalytic Reduction of Nitric-Oxide with Ammonia Appl. Catal., A 1992, 80, 135-148
-
(1992)
Appl. Catal., A
, vol.80
, pp. 135-148
-
-
Chen, J.P.1
Yang, R.T.2
-
8
-
-
58149347113
-
3 Catalysts for Metathesis between Ethene and 2-Butene under Moist Atmosphere
-
3 Catalysts for Metathesis between Ethene and 2-Butene under Moist Atmosphere Catal. Commun. 2009, 10, 544-548
-
(2009)
Catal. Commun.
, vol.10
, pp. 544-548
-
-
Liu, H.J.1
Huang, S.J.2
Zhang, L.3
Liu, S.L.4
Xin, W.J.5
Xu, L.Y.6
-
9
-
-
57249088659
-
2, Fe-ZSM5, and Cu-ZSM5 Catalysts for the Selective Catalytic Reduction of Nitric Oxide with Ammonia
-
2, Fe-ZSM5, and Cu-ZSM5 Catalysts for the Selective Catalytic Reduction of Nitric Oxide with Ammonia Ind. Eng. Chem. Res. 2008, 47, 8588-8593
-
(2008)
Ind. Eng. Chem. Res.
, vol.47
, pp. 8588-8593
-
-
Krocher, O.1
Elsener, M.2
-
10
-
-
33644864857
-
Synthesis, Characterization, and Catalytic Function of Novel Highly Dispersed Tungsten Oxide Catalysts on Mesoporous Silica
-
Herrera, J. E.; Kwak, J. H.; Hu, J. Z.; Wang, Y.; Peden, C. H. F.; Macht, J.; Iglesia, E. Synthesis, Characterization, and Catalytic Function of Novel Highly Dispersed Tungsten Oxide Catalysts on Mesoporous Silica J. Catal. 2006, 239, 200-211
-
(2006)
J. Catal.
, vol.239
, pp. 200-211
-
-
Herrera, J.E.1
Kwak, J.H.2
Hu, J.Z.3
Wang, Y.4
Peden, C.H.F.5
Macht, J.6
Iglesia, E.7
-
11
-
-
0036350151
-
Genesis of Bronsted Acid Sites during Dehydration of 2-Butanol on Tungsten Oxide Catalysts
-
Baertsch, C. D.; Komala, K. T.; Chua, Y. H.; Iglesia, E. Genesis of Bronsted Acid Sites during Dehydration of 2-Butanol on Tungsten Oxide Catalysts J. Catal. 2002, 205, 44-57
-
(2002)
J. Catal.
, vol.205
, pp. 44-57
-
-
Baertsch, C.D.1
Komala, K.T.2
Chua, Y.H.3
Iglesia, E.4
-
12
-
-
4744356822
-
Support Effects on Bronsted Acid Site Densities and Alcohol Dehydration Turnover Rates on Tungsten Oxide Domains
-
Macht, J.; Baertsch, C. D.; May-Lozano, M.; Soled, S. L.; Wang, Y.; Iglesia, E. Support Effects on Bronsted Acid Site Densities and Alcohol Dehydration Turnover Rates on Tungsten Oxide Domains J. Catal. 2004, 227, 479-491
-
(2004)
J. Catal.
, vol.227
, pp. 479-491
-
-
Macht, J.1
Baertsch, C.D.2
May-Lozano, M.3
Soled, S.L.4
Wang, Y.5
Iglesia, E.6
-
13
-
-
33746848945
-
2(110)
-
2(110) Angew. Chem., Int. Ed. 2006, 45, 4786-4789
-
(2006)
Angew. Chem., Int. Ed.
, vol.45
, pp. 4786-4789
-
-
Bondarchuk, O.1
Huang, X.2
Kim, J.3
Kay, B.D.4
Wang, L.S.5
White, J.M.6
Dohnálek, Z.7
-
16
-
-
79953713407
-
Growth of Ordered Ultrathin Tungsten Oxide Films on Pt(111)
-
Li, Z.; Zhang, Z.; Kim, Y. K.; Smith, R. S.; Netzer, F.; Kay, B. D.; Rousseau, R.; Dohnalek, Z. Growth of Ordered Ultrathin Tungsten Oxide Films on Pt(111) J. Phys. Chem. C 2011, 115, 5773-5783
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 5773-5783
-
-
Li, Z.1
Zhang, Z.2
Kim, Y.K.3
Smith, R.S.4
Netzer, F.5
Kay, B.D.6
Rousseau, R.7
Dohnalek, Z.8
-
18
-
-
84865101714
-
Alcohol Dehydration on Monooxo Wî - ?O and Dioxo Oî - ?Wî - ?O Species
-
Li, Z. J.; Smid, B.; Kim, Y. K.; Matolin, V.; Kay, B. D.; Rousseau, R.; Dohnalek, Z. Alcohol Dehydration on Monooxo Wî-?O and Dioxo Oî-?Wî-?O Species J. Phys. Chem. Lett. 2012, 3, 2168-2172
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 2168-2172
-
-
Li, Z.J.1
Smid, B.2
Kim, Y.K.3
Matolin, V.4
Kay, B.D.5
Rousseau, R.6
Dohnalek, Z.7
-
19
-
-
84862909181
-
Preparation, Characterization, and Catalytic Properties of Tungsten Trioxide Cyclic Trimers on FeO(111)/Pt(111)
-
Li, S. C.; Li, Z.; Zhang, Z.; Kay, B. D.; Rousseau, R.; Dohnalek, Z. Preparation, Characterization, and Catalytic Properties of Tungsten Trioxide Cyclic Trimers on FeO(111)/Pt(111) J. Phys. Chem. C 2012, 116, 908-916
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 908-916
-
-
Li, S.C.1
Li, Z.2
Zhang, Z.3
Kay, B.D.4
Rousseau, R.5
Dohnalek, Z.6
-
20
-
-
82155192889
-
Structure and Bonding of Tungsten Oxide Clusters on Nanostructured Cu-O Surfaces
-
Wagner, M.; Surnev, S.; Ramsey, M. G.; Barcaro, G.; Sementa, L.; Negreiros, F. R.; Fortunelli, A.; Dohnalek, Z.; Netzer, F. P. Structure and Bonding of Tungsten Oxide Clusters on Nanostructured Cu-O Surfaces J. Phys. Chem. C 2011, 115, 23480-23487
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 23480-23487
-
-
Wagner, M.1
Surnev, S.2
Ramsey, M.G.3
Barcaro, G.4
Sementa, L.5
Negreiros, F.R.6
Fortunelli, A.7
Dohnalek, Z.8
Netzer, F.P.9
-
21
-
-
33847389465
-
Coupled-Cluster Theory in Quantum Chemistry
-
Bartlett, R. J.; Musial, M. Coupled-Cluster Theory in Quantum Chemistry Rev. Mod. Phys. 2007, 79, 291-352
-
(2007)
Rev. Mod. Phys.
, vol.79
, pp. 291-352
-
-
Bartlett, R.J.1
Musial, M.2
-
22
-
-
69849113628
-
No Confinement Needed: Observation of a Metastable Hydrophobic Wetting Two-Layer Ice on Graphene
-
Kimmel, G. A.; Matthiesen, J.; Baer, M.; Mundy, C. J.; Petrik, N. G.; Smith, R. S.; Dohnálek, Z.; Kay, B. D. No Confinement Needed: Observation of a Metastable Hydrophobic Wetting Two-Layer Ice on Graphene J. Am. Chem. Soc. 2009, 131, 12838-12844
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 12838-12844
-
-
Kimmel, G.A.1
Matthiesen, J.2
Baer, M.3
Mundy, C.J.4
Petrik, N.G.5
Smith, R.S.6
Dohnálek, Z.7
Kay, B.D.8
-
24
-
-
79955429001
-
Molecular Structures, Acid-Base Properties, and Formation of Group 6 Transition Metal Hydroxides
-
Li, S.; Guenther, C. L.; Kelley, M. S.; Dixon, D. A. Molecular Structures, Acid-Base Properties, and Formation of Group 6 Transition Metal Hydroxides J. Phys. Chem. C 2011, 115, 8072-8103
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 8072-8103
-
-
Li, S.1
Guenther, C.L.2
Kelley, M.S.3
Dixon, D.A.4
-
25
-
-
84876834255
-
n Clusters (M = Ti, Zr, Hf)
-
n Clusters (M = Ti, Zr, Hf) J. Phys. Chem. A 2013, 117, 3539-3555
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 3539-3555
-
-
Fang, Z.T.1
Dixon, D.A.2
-
26
-
-
33745464561
-
Molecular and Electronic Structures, Bronsted Basicities, and Lewis Acidities of Group VIB Transition Metal Oxide Clusters
-
Li, S. G.; Dixon, D. A. Molecular and Electronic Structures, Bronsted Basicities, and Lewis Acidities of Group VIB Transition Metal Oxide Clusters J. Phys. Chem. A 2006, 110, 6231-6244
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 6231-6244
-
-
Li, S.G.1
Dixon, D.A.2
-
27
-
-
37049010500
-
6- (M = Cr, Mo, W)
-
6- (M = Cr, Mo, W) J. Phys. Chem. A 2007, 111, 11908-11921
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 11908-11921
-
-
Li, S.1
Dixon, D.A.2
-
28
-
-
42149130830
-
n (n = 1-5): Photoelectron Spectroscopy and Density Functional Calculations
-
n (n = 1-5): Photoelectron Spectroscopy and Density Functional Calculations J. Am. Chem. Soc. 2008, 130, 5167-5177
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 5167-5177
-
-
Zhai, H.-J.1
Li, S.2
Dixon, D.A.3
Wang, L.-S.4
-
29
-
-
49149121043
-
n (n = 1-4) Clusters and Their Anions
-
n (n = 1-4) Clusters and Their Anions J. Phys. Chem. A 2008, 112, 6646-6666
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 6646-6666
-
-
Li, S.1
Dixon, D.A.2
-
30
-
-
67649856906
-
Accurate Thermochemistry for Transition Metal Oxide Clusters
-
Li, S.; Hennigan, J. M.; Dixon, D. A.; Peterson, K. A. Accurate Thermochemistry for Transition Metal Oxide Clusters J. Phys. Chem. A 2009, 113, 7861-7877
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 7861-7877
-
-
Li, S.1
Hennigan, J.M.2
Dixon, D.A.3
Peterson, K.A.4
-
31
-
-
70350155589
-
- (M = Cr, W), from Photoelectron Spectroscopy and Quantum Chemical Calculations
-
- (M = Cr, W), from Photoelectron Spectroscopy and Quantum Chemical Calculations J. Phys. Chem. A 2009, 113, 11273-11288
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 11273-11288
-
-
Li, S.1
Zhai, H.-J.2
Wang, L.-S.3
Dixon, D.A.4
-
32
-
-
77249119460
-
n (n = 1-4) Clusters and Their Anions
-
n (n = 1-4) Clusters and Their Anions J. Phys. Chem. A 2010, 114, 2665-2683
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 2665-2683
-
-
Li, S.1
Dixon, D.A.2
-
33
-
-
0000189651
-
Density-Functional Thermochemistry. III. the Role of Exact Exchange
-
Becke, A. D. Density-Functional Thermochemistry. III. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
34
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
-
Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
35
-
-
85005693478
-
Combining Synchronous Transit and Quasi-Newton Methods to Find Transition-States
-
Peng, C. Y.; Schlegel, H. B. Combining Synchronous Transit and Quasi-Newton Methods to Find Transition-States Isr. J. Chem. 1993, 33, 449-454
-
(1993)
Isr. J. Chem.
, vol.33
, pp. 449-454
-
-
Peng, C.Y.1
Schlegel, H.B.2
-
36
-
-
0001149392
-
Synchronous-Transit Method for Determining Reaction Pathways and Locating Molecular Transition-States
-
Halgren, T. A.; Lipscomb, W. N. Synchronous-Transit Method for Determining Reaction Pathways and Locating Molecular Transition-States Chem. Phys. Lett. 1977, 49, 225-232
-
(1977)
Chem. Phys. Lett.
, vol.49
, pp. 225-232
-
-
Halgren, T.A.1
Lipscomb, W.N.2
-
37
-
-
4143095330
-
Electron-Affinities of the 1st-Row Atoms Revisited - Systematic Basis-Sets and Wave-Functions
-
Kendall, R. A.; Dunning, T. H.; Harrison, R. J. Electron-Affinities of the 1st-Row Atoms Revisited-Systematic Basis-Sets and Wave-Functions J. Chem. Phys. 1992, 96, 6796-6806
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796-6806
-
-
Kendall, R.A.1
Dunning, T.H.2
Harrison, R.J.3
-
38
-
-
65149088239
-
Energy-Consistent Pseudopotentials and Correlation Consistent Basis Sets for the 5d Elements Hf-Pt
-
Figgen, D.; Peterson, K. A.; Dolg, M.; Stoll, H. Energy-Consistent Pseudopotentials and Correlation Consistent Basis Sets for the 5d Elements Hf-Pt J. Chem. Phys. 2009, 130, 164108
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 164108
-
-
Figgen, D.1
Peterson, K.A.2
Dolg, M.3
Stoll, H.4
-
40
-
-
79952130294
-
-
Gaussian, Inc. Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Gaussian 09, Revision B.01; Gaussian, Inc.: Wallingford, CT, 2009.
-
(2009)
Gaussian 09, Revision B.01
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
-
41
-
-
43049141516
-
The M06 Suite of Density Functionals for Main Group Thermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: Two New Functionals and Systematic Testing of Four M06-Class Functionals and 12 Other Functionals
-
Zhao, Y.; Truhlar, D. G. The M06 Suite of Density Functionals for Main Group Thermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: Two New Functionals and Systematic Testing of Four M06-Class Functionals and 12 Other Functionals Theor. Chem. Acc. 2008, 120, 215-241
-
(2008)
Theor. Chem. Acc.
, vol.120
, pp. 215-241
-
-
Zhao, Y.1
Truhlar, D.G.2
-
42
-
-
84859382732
-
Molpro: A General-Purpose Quantum Chemistry Program Package
-
Werner, H.-J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Schütz, M. Molpro: A General-Purpose Quantum Chemistry Program Package Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2012, 2, 242-253
-
(2012)
Wiley Interdiscip. Rev.: Comput. Mol. Sci.
, vol.2
, pp. 242-253
-
-
Werner, H.-J.1
Knowles, P.J.2
Knizia, G.3
Manby, F.R.4
Schütz, M.5
-
43
-
-
84897704273
-
-
MOLPRO, version 2012.1, a package of ab initio programs. See
-
Werner, H.-J. K. P. J.; Knizia, G.; Manby, F. R.; Schütz, M.; Celani, P.; Korona, T.; Lindh, R.; Mitrushenkov, A.; Rauhut, G.; MOLPRO, version 2012.1, a package of ab initio programs. See: http://www.molpro.net., 2012.
-
(2012)
-
-
Werner, H.-J.K.P.J.1
Knizia, G.2
Manby, F.R.3
Schütz, M.4
Celani, P.5
Korona, T.6
Lindh, R.7
Mitrushenkov, A.8
Rauhut, G.9
-
44
-
-
33846410438
-
A Simplification of the Hartree-Fock Method
-
Slater, J. C. A Simplification of the Hartree-Fock Method Phys. Rev. 1951, 81, 385-390
-
(1951)
Phys. Rev.
, vol.81
, pp. 385-390
-
-
Slater, J.C.1
-
45
-
-
0000216001
-
Accurate Spin-Dependent Electron Liquid Correlation Energies for Local Spin Density Calculations: A Critical Analysis
-
Vosko, S. H.; Wilk, L.; Nusair, M. Accurate Spin-Dependent Electron Liquid Correlation Energies for Local Spin Density Calculations: a Critical Analysis Can. J. Phys. 1980, 58, 1200-1211
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200-1211
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
46
-
-
84862098484
-
3 Films Grown via Ballistic Deposition
-
3 Films Grown via Ballistic Deposition J. Phys. Chem. C 2012, 116, 10649-10655
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 10649-10655
-
-
Smid, B.1
Li, Z.2
Dohnalkova, A.3
Arey, B.W.4
Smith, R.S.5
Matolin, V.6
Kay, B.D.7
Dohnalek, Z.8
-
48
-
-
80053487980
-
- (M = Cr, Mo, W)
-
- (M = Cr, Mo, W) J. Phys. Chem. C 2011, 115, 19190-19196
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 19190-19196
-
-
Li, S.G.1
Dixon, D.A.2
|