-
2
-
-
84896497145
-
Gold atoms stabilized on various supports catalyze the water-gas shift reaction
-
Flytzani-Stephanopoulos, M. Gold atoms stabilized on various supports catalyze the water-gas shift reaction. Acc. Chem. Res. 47, 783-792 (2014).
-
(2014)
Acc. Chem. Res.
, vol.47
, pp. 783-792
-
-
Flytzani-Stephanopoulos, M.1
-
3
-
-
84882666440
-
Single-atom catalysts: A new frontier in heterogeneous catalysis
-
Yang, X. F. et al. Single-atom catalysts: A new frontier in heterogeneous catalysis. Acc. Chem. Res. 46, 1740-1748 (2013).
-
(2013)
Acc. Chem. Res.
, vol.46
, pp. 1740-1748
-
-
Yang, X.F.1
-
4
-
-
84944268114
-
Selective hydrogenation of 1,3-butadiene on platinum-copper alloys at the single-atom limit
-
Lucci, F. R. et al. Selective hydrogenation of 1,3-butadiene on platinum-copper alloys at the single-atom limit. Nat. Commun. 6, 8550 (2015).
-
(2015)
Nat. Commun.
, vol.6
, pp. 8550
-
-
Lucci, F.R.1
-
5
-
-
84858051183
-
Isolated metal atom geometries as a strategy for selective heterogeneous hydrogenations
-
Kyriakou, G. et al. Isolated metal atom geometries as a strategy for selective heterogeneous hydrogenations. Science 335, 1209-1212 (2012).
-
(2012)
Science
, vol.335
, pp. 1209-1212
-
-
Kyriakou, G.1
-
6
-
-
84930660226
-
Ag alloyed Pd single-atom catalysts for efficient selective hydrogenation of acetylene to ethylene in excess ethylene
-
Pei, G. X. et al. Ag alloyed Pd single-atom catalysts for efficient selective hydrogenation of acetylene to ethylene in excess ethylene. ACS Catal. 5, 3717-3725 (2015).
-
(2015)
ACS Catal.
, vol.5
, pp. 3717-3725
-
-
Pei, G.X.1
-
7
-
-
84939794402
-
Catalysis on singly dispersed bimetallic sites
-
Zhang, S. et al. Catalysis on singly dispersed bimetallic sites. Nat. Commun. 6, 7938 (2015).
-
(2015)
Nat. Commun.
, vol.6
, pp. 7938
-
-
Zhang, S.1
-
8
-
-
0042242562
-
Active nonmetallic Au and Pt species on ceria-based water-gas shift catalysts
-
Fu, Q., Saltsburg, H. & Flytzani-Stephanopoulos, M. Active nonmetallic Au and Pt species on ceria-based water-gas shift catalysts. Science 301, 935-938 (2003).
-
(2003)
Science
, vol.301
, pp. 935-938
-
-
Fu, Q.1
Saltsburg, H.2
Flytzani-Stephanopoulos, M.3
-
9
-
-
84908455381
-
Maximum noble-metal efficiency in catalytic materials: Atomically dispersed surface platinum
-
Bruix, A. et al. Maximum noble-metal efficiency in catalytic materials: atomically dispersed surface platinum. Angew. Chem. Int. Ed. Engl. 53, 10525-10530 (2014).
-
(2014)
Angew. Chem. Int. Ed. Engl.
, vol.53
, pp. 10525-10530
-
-
Bruix, A.1
-
10
-
-
84924658069
-
Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles
-
Wang, Y. G., Mei, D. H., Glezakou, V. A., Li, J. & Rousseau, R. Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles. Nat. Commun. 6, 6511 (2015).
-
(2015)
Nat. Commun.
, vol.6
, pp. 6511
-
-
Wang, Y.G.1
Mei, D.H.2
Glezakou, V.A.3
Li, J.4
Rousseau, R.5
-
11
-
-
13444250072
-
Activity and stability of low-content gold-cerium oxide catalysts for the water-gas shift reaction
-
Fu, Q., Deng, W., Saltsburg, H. & Flytzani-Stephanopoulos, M. Activity and stability of low-content gold-cerium oxide catalysts for the water-gas shift reaction. Appl. Catal. B 56, 57-68 (2005).
-
(2005)
Appl. Catal. B
, vol.56
, pp. 57-68
-
-
Fu, Q.1
Deng, W.2
Saltsburg, H.3
Flytzani-Stephanopoulos, M.4
-
12
-
-
84878321576
-
Hydrogen production by dehydrogenation of formic acid on atomically dispersed gold on ceria
-
Yi, N., Saltsburg, H. & Flytzani-Stephanopoulos, M. Hydrogen production by dehydrogenation of formic acid on atomically dispersed gold on ceria. ChemSusChem 6, 816-819 (2013).
-
(2013)
ChemSusChem
, vol.6
, pp. 816-819
-
-
Yi, N.1
Saltsburg, H.2
Flytzani-Stephanopoulos, M.3
-
13
-
-
84946780110
-
2-rich stream by gold single-atom catalysts
-
2-rich stream by gold single-atom catalysts. ACS Catal. 5, 6249-6254 (2015).
-
(2015)
ACS Catal.
, vol.5
, pp. 6249-6254
-
-
Qiao, B.1
-
14
-
-
79960692770
-
x
-
x. Nat. Chem. 3, 634-641 (2011).
-
(2011)
Nat. Chem.
, vol.3
, pp. 634-641
-
-
Qiao, B.1
-
15
-
-
84886928686
-
x single-atom catalyst in water gas shift reaction
-
x single-atom catalyst in water gas shift reaction. J. Am. Chem. Soc. 135, 15314-15317 (2013).
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 15314-15317
-
-
Lin, J.1
-
16
-
-
84923323568
-
x-supported platinum single-atom and pseudo-single-atom catalysts for chemoselective hydrogenation of functionalized nitroarenes
-
x-supported platinum single-atom and pseudo-single-atom catalysts for chemoselective hydrogenation of functionalized nitroarenes. Nat. Commun. 5, 5634 (2014).
-
(2014)
Nat. Commun.
, vol.5
, pp. 5634
-
-
Wei, H.1
-
17
-
-
84920190594
-
Single-atom catalysis in mesoporous photovoltaics: The principle of utility maximization
-
Shi, Y. et al. Single-atom catalysis in mesoporous photovoltaics: the principle of utility maximization. Adv. Mater. 26, 8147-8153 (2014).
-
(2014)
Adv. Mater.
, vol.26
, pp. 8147-8153
-
-
Shi, Y.1
-
18
-
-
84928902236
-
2
-
2. Chem. Commun. 51, 7911-7914 (2015).
-
(2015)
Chem. Commun.
, vol.51
, pp. 7911-7914
-
-
Lin, J.1
-
21
-
-
70349558828
-
3
-
3. Science 325, 1670-1673 (2009).
-
(2009)
Science
, vol.325
, pp. 1670-1673
-
-
Kwak, J.H.1
-
23
-
-
84916621074
-
Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina
-
Peterson, E. J. et al. Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina. Nat. Commun. 5, 4885 (2014).
-
(2014)
Nat. Commun.
, vol.5
, pp. 4885
-
-
Peterson, E.J.1
-
24
-
-
84922673230
-
Remarkable NO oxidation on single supported platinum atoms
-
Narula, C. K., Allard, L. F., Stocks, G. M. & Moses-DeBusk, M. Remarkable NO oxidation on single supported platinum atoms. Sci. Rep. 4, 7238 (2014).
-
(2014)
Sci. Rep.
, vol.4
, pp. 7238
-
-
Narula, C.K.1
Allard, L.F.2
Stocks, G.M.3
Moses-DeBusk, M.4
-
25
-
-
84907938023
-
CO oxidation catalyzed by single gold atoms supported on aluminum oxide clusters
-
Li, Z. Y., Yuan, Z., Li, X. N., Zhao, Y. X. & He, S. G. CO oxidation catalyzed by single gold atoms supported on aluminum oxide clusters. J. Am. Chem. Soc. 136, 14307-14313 (2014).
-
(2014)
J. Am. Chem. Soc.
, vol.136
, pp. 14307-14313
-
-
Li, Z.Y.1
Yuan, Z.2
Li, X.N.3
Zhao, Y.X.4
He, S.G.5
-
26
-
-
84919462494
-
x- species stabilized by alkali ions on zeolites and mesoporous oxides
-
x- species stabilized by alkali ions on zeolites and mesoporous oxides. Science 346, 1498-1501 (2014).
-
(2014)
Science
, vol.346
, pp. 1498-1501
-
-
Yang, M.1
-
27
-
-
84900318624
-
Direct, nonoxidative conversion of methane to ethylene, aromatics, and hydrogen
-
Guo, X. et al. Direct, nonoxidative conversion of methane to ethylene, aromatics, and hydrogen. Science 344, 616-619 (2014).
-
(2014)
Science
, vol.344
, pp. 616-619
-
-
Guo, X.1
-
28
-
-
84930619658
-
1/zeolite y catalyst: Compelling evidence against ostwald ripening but for bimolecular and autocatalytic agglomeration catalyst sintering steps
-
1/zeolite Y catalyst: Compelling evidence against ostwald ripening but for bimolecular and autocatalytic agglomeration catalyst sintering steps. ACS Catal. 5, 3514-3527 (2015).
-
(2015)
ACS Catal.
, vol.5
, pp. 3514-3527
-
-
Bayram, E.1
-
29
-
-
84925263760
-
x- species stabilized by sodium on "active" and "inert" supports catalyzes the water-gas shift reaction
-
x- species stabilized by sodium on "active" and "inert" supports catalyzes the water-gas shift reaction. J. Am. Chem. Soc. 137, 3470-3473 (2015).
-
(2015)
J. Am. Chem. Soc.
, vol.137
, pp. 3470-3473
-
-
Yang, M.1
-
30
-
-
84943542957
-
Identification of active sites in CO oxidation and water-gas shift over supported Pt catalysts
-
Ding, K. et al. Identification of active sites in CO oxidation and water-gas shift over supported Pt catalysts. Science 350, 189-192 (2015).
-
(2015)
Science
, vol.350
, pp. 189-192
-
-
Ding, K.1
-
31
-
-
84942861307
-
Isostructural zeolite-supported rhodium and iridium complexes: Tuning catalytic activity and selectivity by ligand modification
-
Martinez-Macias, C., Serna, P. & Gates, B. C. Isostructural zeolite-supported rhodium and iridium complexes: Tuning catalytic activity and selectivity by ligand modification. ACS Catal. 5, 5647-5656 (2015).
-
(2015)
ACS Catal.
, vol.5
, pp. 5647-5656
-
-
Martinez-Macias, C.1
Serna, P.2
Gates, B.C.3
-
32
-
-
77957350630
-
x species catalyze low-temperature water-gas shift reactions
-
x species catalyze low-temperature water-gas shift reactions. Science 329, 1633-1636 (2010).
-
(2010)
Science
, vol.329
, pp. 1633-1636
-
-
Zhai, Y.P.1
-
33
-
-
84930632932
-
Single-site palladium(II) catalyst for oxidative heck reaction: Catalytic performance and kinetic investigations
-
Duan, H. et al. Single-site palladium(II) catalyst for oxidative heck reaction: catalytic performance and kinetic investigations. ACS Catal. 5, 3752-3759 (2015).
-
(2015)
ACS Catal.
, vol.5
, pp. 3752-3759
-
-
Duan, H.1
-
34
-
-
79952644571
-
Alternative electrocatalyst support materials for polymer electrolyte fuel cells
-
Sasaki, K. et al. Alternative electrocatalyst support materials for polymer electrolyte fuel cells. ECS Trans. 33, 473-482 (2010).
-
(2010)
ECS Trans.
, vol.33
, pp. 473-482
-
-
Sasaki, K.1
-
35
-
-
84890388964
-
Strong interaction between Pt and thiolated carbon for electrocatalytic durability enhancement
-
Park, S.-A., Kim, D.-S., Kim, T.-J. & Kim, Y.-T. Strong interaction between Pt and thiolated carbon for electrocatalytic durability enhancement. ACS Catal. 3, 3067-3074 (2013).
-
(2013)
ACS Catal.
, vol.3
, pp. 3067-3074
-
-
Park, S.-A.1
Kim, D.-S.2
Kim, T.-J.3
Kim, Y.-T.4
-
36
-
-
33845525346
-
The effect of oxygen surface groups of the support on platinum dispersion in Pt/carbon catalysts
-
Prado-Burguete, C., Linares-Solano, A., Rodríguez-Reinoso, F. & de Lecea, C. S.-M. The effect of oxygen surface groups of the support on platinum dispersion in Pt/carbon catalysts. J. Catal. 115, 98-106 (1989).
-
(1989)
J. Catal.
, vol.115
, pp. 98-106
-
-
Prado-Burguete, C.1
Linares-Solano, A.2
Rodríguez-Reinoso, F.3
De Lecea, C.S.-M.4
-
37
-
-
84878656883
-
Single-atom catalysis using Pt/graphene achieved through atomic layer deposition
-
Sun, S. et al. Single-atom catalysis using Pt/graphene achieved through atomic layer deposition. Sci. Rep. 3, 1775 (2013).
-
(2013)
Sci. Rep.
, vol.3
, pp. 1775
-
-
Sun, S.1
-
38
-
-
84941703227
-
1/graphene catalyst achieved by atomic layer deposition: Remarkable performance in selective hydrogenation of 1,3-butadiene
-
1/graphene catalyst achieved by atomic layer deposition: remarkable performance in selective hydrogenation of 1,3-butadiene. J. Am. Chem. Soc. 137, 10484-10487 (2015).
-
(2015)
J. Am. Chem. Soc.
, vol.137
, pp. 10484-10487
-
-
Yan, H.1
-
40
-
-
84878630257
-
Catalytically active single-atom niobium in graphitic layers
-
Zhang, X. et al. Catalytically active single-atom niobium in graphitic layers. Nat. Commun. 4, 1924 (2013).
-
(2013)
Nat. Commun.
, vol.4
, pp. 1924
-
-
Zhang, X.1
-
41
-
-
84957850680
-
Single-atom catalyst of platinum supported on titanium nitride for selective electrochemical reactions
-
Yang, S., Kim, J., Tak, Y. J., Soon, A. & Lee, H. Single-atom catalyst of platinum supported on titanium nitride for selective electrochemical reactions. Angew. Chem. Int. Ed. Engl. 55, 2058-2062 (2016).
-
(2016)
Angew. Chem. Int. Ed. Engl.
, vol.55
, pp. 2058-2062
-
-
Yang, S.1
Kim, J.2
Tak, Y.J.3
Soon, A.4
Lee, H.5
-
42
-
-
84934998523
-
Large-scale synthesis of high-quality zeolite-templated carbons without depositing external carbon layers
-
Choi, S. et al. Large-scale synthesis of high-quality zeolite-templated carbons without depositing external carbon layers. Chem. Eng. J. 280, 597-605 (2015).
-
(2015)
Chem. Eng. J.
, vol.280
, pp. 597-605
-
-
Choi, S.1
-
43
-
-
0034619907
-
Preparation of a high surface area microporous carbon having the structural regularity of y zeolite
-
Ma, Z., Kyotani, T. & Tomita, A. Preparation of a high surface area microporous carbon having the structural regularity of Y zeolite. Chem. Commun. 2000, 2365-2366 (2000).
-
(2000)
Chem. Commun.
, vol.2000
, pp. 2365-2366
-
-
Ma, Z.1
Kyotani, T.2
Tomita, A.3
-
44
-
-
33749606643
-
Preparation and hydrogen storage properties of zeolite-templated carbon materials nanocast via chemical vapor deposition: Effect of the zeolite template and nitrogen doping
-
Yang, Z., Xia, Y., Sun, X. & Mokaya, R. Preparation and hydrogen storage properties of zeolite-templated carbon materials nanocast via chemical vapor deposition: Effect of the zeolite template and nitrogen doping. J. Phys. Chem. B 110, 18424-18431 (2006).
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 18424-18431
-
-
Yang, Z.1
Xia, Y.2
Sun, X.3
Mokaya, R.4
-
45
-
-
0035387740
-
Effects of sulfur impregnation temperature on the properties and mercury adsorption capacities of activated carbon fibers (ACFs)
-
Hsi, H.-C., Rood, M. J., Rostam-Abadi, M., Chen, S. & Chang, R. Effects of sulfur impregnation temperature on the properties and mercury adsorption capacities of activated carbon fibers (ACFs). Environ. Sci. Technol. 35, 2785-2791 (2001).
-
(2001)
Environ. Sci. Technol.
, vol.35
, pp. 2785-2791
-
-
Hsi, H.-C.1
Rood, M.J.2
Rostam-Abadi, M.3
Chen, S.4
Chang, R.5
-
46
-
-
0003130428
-
Investigation of organic sulfur-containing structures in coal by flash pyrolysis experiments
-
Calkins, W. H. Investigation of organic sulfur-containing structures in coal by flash pyrolysis experiments. Energy Fuels 1, 59-64 (1987).
-
(1987)
Energy Fuels
, vol.1
, pp. 59-64
-
-
Calkins, W.H.1
-
47
-
-
84891556194
-
Sulfur-doped porous carbons: Synthesis and applications
-
Kicinski, W., Szala, M. & Bystrzejewski, M. Sulfur-doped porous carbons: synthesis and applications. Carbon 68, 1-32 (2014).
-
(2014)
Carbon
, vol.68
, pp. 1-32
-
-
Kicinski, W.1
Szala, M.2
Bystrzejewski, M.3
-
48
-
-
61649088587
-
A possible buckybowl-like structure of zeolite templated carbon
-
Nishihara, H. et al. A possible buckybowl-like structure of zeolite templated carbon. Carbon 47, 1220-1230 (2009).
-
(2009)
Carbon
, vol.47
, pp. 1220-1230
-
-
Nishihara, H.1
-
49
-
-
0037532807
-
XANES determination of the platinum oxidation state distribution in cancer cells treated with platinum(IV) anticancer agents
-
Hall, M. D., Foran, G. J., Zhang, M., Beale, P. J. & Hambley, T. W. XANES determination of the platinum oxidation state distribution in cancer cells treated with platinum(IV) anticancer agents. J. Am. Chem. Soc. 125, 7524-7525 (2003).
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 7524-7525
-
-
Hall, M.D.1
Foran, G.J.2
Zhang, M.3
Beale, P.J.4
Hambley, T.W.5
-
51
-
-
34547824671
-
Densification of ordered microporous carbons and controlling their micropore size by hotpressing
-
Hou, P. X., Orikasa, H., Itoi, H., Nishihara, H. & Kyotani, T. Densification of ordered microporous carbons and controlling their micropore size by hotpressing. Carbon 45, 2011-2016 (2007).
-
(2007)
Carbon
, vol.45
, pp. 2011-2016
-
-
Hou, P.X.1
Orikasa, H.2
Itoi, H.3
Nishihara, H.4
Kyotani, T.5
-
52
-
-
84860744598
-
Electrocatalysis for polymer electrolyte fuel cells: Recent achievements and future challenges
-
Rabis, A., Rodriguez, P. & Schmidt, T. J. Electrocatalysis for polymer electrolyte fuel cells: Recent achievements and future challenges. ACS Catal. 2, 864-890 (2012).
-
(2012)
ACS Catal.
, vol.2
, pp. 864-890
-
-
Rabis, A.1
Rodriguez, P.2
Schmidt, T.J.3
-
53
-
-
84920025647
-
Hydrogen peroxide synthesis via enhanced two-electron oxygen reduction pathway on carbon-coated Pt surface
-
Choi, C. H. et al. Hydrogen peroxide synthesis via enhanced two-electron oxygen reduction pathway on carbon-coated Pt surface. J. Phys. Chem. C 118, 30063-30070 (2014).
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 30063-30070
-
-
Choi, C.H.1
-
55
-
-
84860470692
-
Hydrogen peroxide electrochemistry on platinum: Towards understanding the oxygen reduction reaction mechanism
-
Katsounaros, I. et al. Hydrogen peroxide electrochemistry on platinum: towards understanding the oxygen reduction reaction mechanism. Phys. Chem. Chem. Phys. 14, 7384-7391 (2012).
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 7384-7391
-
-
Katsounaros, I.1
-
57
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996).
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
58
-
-
84863063466
-
Universal correction of density functional theory to include London dispersion (up to Lr, Element 103)
-
Kim, H., Choi, J. M. & Goddard, W. A. Universal correction of density functional theory to include London dispersion (up to Lr, Element 103). J. Phys. Chem. Lett. 3, 360-363 (2012).
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 360-363
-
-
Kim, H.1
Choi, J.M.2
Goddard, W.A.3
-
59
-
-
0034321224
-
Catalytic effect of platinum on oxygen reduction an ab initio model including electrode potential dependence
-
Anderson, A. B. & Albu, T. V. Catalytic effect of platinum on oxygen reduction an ab initio model including electrode potential dependence. J. Electrochem. Soc. 147, 4229-4238 (2000).
-
(2000)
J. Electrochem. Soc.
, vol.147
, pp. 4229-4238
-
-
Anderson, A.B.1
Albu, T.V.2
-
60
-
-
79960279780
-
Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis
-
Koper, M. T. M. Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis. J. Electroanal. Chem. 660, 254-260 (2011).
-
(2011)
J. Electroanal. Chem.
, vol.660
, pp. 254-260
-
-
Koper, M.T.M.1
-
61
-
-
0003459529
-
-
(Pysical Electronics)
-
Moulder, J. F., Stickle, W. F., Sobol, P. E. & Bomben, K. D. Handbook of X-ray Photoelectron Spectroscopy (Pysical Electronics, 1992).
-
(1992)
Handbook of X-ray Photoelectron Spectroscopy
-
-
Moulder, J.F.1
Stickle, W.F.2
Sobol, P.E.3
Bomben, K.D.4
-
62
-
-
84881333445
-
Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences
-
Bochevarov, A. D. et al. Jaguar: a high-performance quantum chemistry software program with strengths in life and materials sciences. Int. J. Quantum Chem. 113, 2110-2142 (2013).
-
(2013)
Int. J. Quantum Chem.
, vol.113
, pp. 2110-2142
-
-
Bochevarov, A.D.1
-
63
-
-
27344448074
-
Abinitio effective core potentials for molecular calculations - Potentials for K to Au including the outermost core orbitals
-
Hay, P. J. & Wadt, W. R. Abinitio effective core potentials for molecular calculations - potentials for K to Au including the outermost core orbitals. J. Chem. Phys. 82, 299-310 (1985).
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 299-310
-
-
Hay, P.J.1
Wadt, W.R.2
-
64
-
-
0000304948
-
Accurate first principles calculation of molecular charge-distributions and solvation energies from ab-initio quantummechanics and continuum dielectric theory
-
Tannor, D. J. et al. Accurate first principles calculation of molecular charge-distributions and solvation energies from ab-initio quantummechanics and continuum dielectric theory. J. Am. Chem. Soc. 116, 11875-11882 (1994).
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 11875-11882
-
-
Tannor, D.J.1
-
65
-
-
0030180875
-
New model for calculation of solvation free energies: Correction of self-consistent reaction field continuum dielectric theory for short-range hydrogen-bonding effects
-
Marten, B. et al. New model for calculation of solvation free energies: correction of self-consistent reaction field continuum dielectric theory for short-range hydrogen-bonding effects. J. Phys. Chem. C 100, 11775-11788 (1996).
-
(1996)
J. Phys. Chem. C
, vol.100
, pp. 11775-11788
-
-
Marten, B.1
-
66
-
-
67049096230
-
Calculation of oneelectron redox potentials revisited. Is it possible to calculate accurate potentials with density functional methods?
-
Roy, L. E., Jakubikova, E., Guthrie, M. G. & Batista, E. R. Calculation of oneelectron redox potentials revisited. Is it possible to calculate accurate potentials with density functional methods? J. Phys. Chem. A 113, 6745-6750 (2009).
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 6745-6750
-
-
Roy, L.E.1
Jakubikova, E.2
Guthrie, M.G.3
Batista, E.R.4
-
67
-
-
84858321474
-
Reduction of systematic uncertainty in DFT redox potentials of transition-metal complexes
-
Konezny, S. J. et al. Reduction of systematic uncertainty in DFT redox potentials of transition-metal complexes. J. Phys. Chem. C 116, 6349-6356 (2012).
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 6349-6356
-
-
Konezny, S.J.1
-
68
-
-
0034731723
-
Conversion constants for redox potentials measured versus different reference electrodes in acetonitrile solutions at 25 °c
-
Pavlishchuk, V. V. & Addison, A. W. Conversion constants for redox potentials measured versus different reference electrodes in acetonitrile solutions at 25 °C. Inorg. Chim. Acta 298, 97-102 (2000).
-
(2000)
Inorg. Chim. Acta
, vol.298
, pp. 97-102
-
-
Pavlishchuk, V.V.1
Addison, A.W.2
-
69
-
-
0000627245
-
Calculation of the aqueous solvation free energy of the proton
-
Tawa, G. J., Topol, I. A., Burt, S. K., Caldwell, R. A. & Rashin, A. A. Calculation of the aqueous solvation free energy of the proton. J. Chem. Phys. 109, 4852-4863 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 4852-4863
-
-
Tawa, G.J.1
Topol, I.A.2
Burt, S.K.3
Caldwell, R.A.4
Rashin, A.A.5
-
70
-
-
0000301294
-
The proton's absolute aqueous enthalpy and Gibbs free energy of solvation from cluster-ion solvation data
-
Tissandier, M. D. et al. The proton's absolute aqueous enthalpy and Gibbs free energy of solvation from cluster-ion solvation data. J. Phys. Chem. A 102, 7787-7794 (1998).
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 7787-7794
-
-
Tissandier, M.D.1
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