-
1
-
-
37049140718
-
X-ray photoelectron-spectroscopy of some uranium oxide phases
-
Allen G.C., Crofts J.A., Curtis M.T., Tucker P.M., Chadwick D., Hampson P.J. X-ray photoelectron-spectroscopy of some uranium oxide phases. J. Chem. Soc. Dalton 1974, 1296-1301.
-
(1974)
J. Chem. Soc. Dalton
, pp. 1296-1301
-
-
Allen, G.C.1
Crofts, J.A.2
Curtis, M.T.3
Tucker, P.M.4
Chadwick, D.5
Hampson, P.J.6
-
2
-
-
0034860729
-
The proximity effect on semiconducting mineral surfaces: a new aspect of mineral surface reactivity and surface complexation theory?
-
Becker U., Rosso K.M., Hochella M.F. The proximity effect on semiconducting mineral surfaces: a new aspect of mineral surface reactivity and surface complexation theory?. Geochim. Cosmochim. Acta 2001, 65:2641-2649.
-
(2001)
Geochim. Cosmochim. Acta
, vol.65
, pp. 2641-2649
-
-
Becker, U.1
Rosso, K.M.2
Hochella, M.F.3
-
4
-
-
0037202285
-
Natural attenuation of TCE, As, Hg linked to the heterogeneous oxidation of Fe(II): an AFM study
-
Charlet L., Bosbach D., Peretyashko T. Natural attenuation of TCE, As, Hg linked to the heterogeneous oxidation of Fe(II): an AFM study. Chem. Geol. 2002, 190:303-319.
-
(2002)
Chem. Geol.
, vol.190
, pp. 303-319
-
-
Charlet, L.1
Bosbach, D.2
Peretyashko, T.3
-
5
-
-
33745620157
-
The COnductor-like screening MOdel for polymers and surfaces
-
Delley B. The COnductor-like screening MOdel for polymers and surfaces. Mol. Simul. 2006, 32:117-123.
-
(2006)
Mol. Simul.
, vol.32
, pp. 117-123
-
-
Delley, B.1
-
6
-
-
0041857031
-
Relativistic and correlation-effects for element 105 (Hahnium, Ha) - a comparative-study of M and Mo (M=Nb, Ta, Ha) using energy-adjusted ab initio pseudopotentials
-
Dolg M., Stoll H., Preuss H., Pitzer R.M. Relativistic and correlation-effects for element 105 (Hahnium, Ha) - a comparative-study of M and Mo (M=Nb, Ta, Ha) using energy-adjusted ab initio pseudopotentials. J. Phys. Chem. 1993, 97:5852-5859.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 5852-5859
-
-
Dolg, M.1
Stoll, H.2
Preuss, H.3
Pitzer, R.M.4
-
7
-
-
79957848399
-
Reduction of uranium(VI) by soluble iron(II) conforms with thermodynamic predictions
-
Du X., Boonchayaanant B., Wu W.M., Fendorf S., Bargar J., Criddle C.S. Reduction of uranium(VI) by soluble iron(II) conforms with thermodynamic predictions. Environ. Sci. Technol. 2011, 45:4718-4725.
-
(2011)
Environ. Sci. Technol.
, vol.45
, pp. 4718-4725
-
-
Du, X.1
Boonchayaanant, B.2
Wu, W.M.3
Fendorf, S.4
Bargar, J.5
Criddle, C.S.6
-
9
-
-
0023821737
-
Chromate removal from aqueous wastes by reduction with ferrous iron
-
Eary L.E., Rai D. Chromate removal from aqueous wastes by reduction with ferrous iron. Environ. Sci. Technol. 1988, 22:972-977.
-
(1988)
Environ. Sci. Technol.
, vol.22
, pp. 972-977
-
-
Eary, L.E.1
Rai, D.2
-
11
-
-
0000411005
-
Electric-field induced intramolecular electron-transfer in spiro pi-electron systems and their suitability as molecular electronic devices - a theoretical-study
-
Farazdel A., Dupuis M., Clementi E., Aviram A. Electric-field induced intramolecular electron-transfer in spiro pi-electron systems and their suitability as molecular electronic devices - a theoretical-study. J. Am. Chem. Soc. 1990, 112:4206-4214.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 4206-4214
-
-
Farazdel, A.1
Dupuis, M.2
Clementi, E.3
Aviram, A.4
-
12
-
-
80053030847
-
Interfacial reactivity of radionuclides: emerging paradigms from molecular-level observations
-
Felmy A.R., Ilton E.S., Rosso K.M., Zachara J.M. Interfacial reactivity of radionuclides: emerging paradigms from molecular-level observations. Min. Mag. 2011, 75:2379-2391.
-
(2011)
Min. Mag.
, vol.75
, pp. 2379-2391
-
-
Felmy, A.R.1
Ilton, E.S.2
Rosso, K.M.3
Zachara, J.M.4
-
13
-
-
0033788421
-
Reduction of U(VI) in goethite (α-FeOOH) suspensions by a dissimilatory metal-reducing bacterium
-
Fredrickson J.K., Zachara J.M., Kennedy D.W., Duff M.C., Gorby Y.A., Li S.-M.W., Krupka K.M. Reduction of U(VI) in goethite (α-FeOOH) suspensions by a dissimilatory metal-reducing bacterium. Geochim. Cosmochim. Acta 2000, 64:3085-3098.
-
(2000)
Geochim. Cosmochim. Acta
, vol.64
, pp. 3085-3098
-
-
Fredrickson, J.K.1
Zachara, J.M.2
Kennedy, D.W.3
Duff, M.C.4
Gorby, Y.A.5
Li, S.-M.W.6
Krupka, K.M.7
-
14
-
-
0000413663
-
Reactive transport of uranyl in a goethite column: an experimental and modelling study
-
Gabriel U., Gaudet J.P., Spadini L., Charlet L. Reactive transport of uranyl in a goethite column: an experimental and modelling study. Chem. Geol. 1998, 151:107-128.
-
(1998)
Chem. Geol.
, vol.151
, pp. 107-128
-
-
Gabriel, U.1
Gaudet, J.P.2
Spadini, L.3
Charlet, L.4
-
15
-
-
84924372226
-
-
Gustafsson J. P. (2010). Visual minteq v. 3.0.
-
Gustafsson J. P. (2010). Visual minteq v. 3.0.
-
-
-
-
16
-
-
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
-
17
-
-
33748545144
-
Influence of polarization functions on molecular-orbital hydrogenation energies
-
Harihara P.C., Pople J.A. Influence of polarization functions on molecular-orbital hydrogenation energies. Theor. Chim. Acta 1973, 28:213-222.
-
(1973)
Theor. Chim. Acta
, vol.28
, pp. 213-222
-
-
Harihara, P.C.1
Pople, J.A.2
-
18
-
-
85061239032
-
Auger-electron and x-ray photoelectron spectroscopies
-
Hochella M.F. Auger-electron and x-ray photoelectron spectroscopies. Rev. Mineral. 1988, 573-637.
-
(1988)
Rev. Mineral.
, pp. 573-637
-
-
Hochella, M.F.1
-
19
-
-
57449104602
-
Reductive immobilization of uranium(VI) by amorphous iron sulfide
-
Hua B., Deng B.L. Reductive immobilization of uranium(VI) by amorphous iron sulfide. Environ. Sci. Technol. 2008, 42:8703-8708.
-
(2008)
Environ. Sci. Technol.
, vol.42
, pp. 8703-8708
-
-
Hua, B.1
Deng, B.L.2
-
20
-
-
33746635136
-
Kinetics of uranium(VI) reduction by hydrogen sulfide in anoxic aqueous systems
-
Hua B., Xu H.F., Terry J., Deng B.L. Kinetics of uranium(VI) reduction by hydrogen sulfide in anoxic aqueous systems. Environ. Sci. Technol. 2006, 40:4666-4671.
-
(2006)
Environ. Sci. Technol.
, vol.40
, pp. 4666-4671
-
-
Hua, B.1
Xu, H.F.2
Terry, J.3
Deng, B.L.4
-
21
-
-
80955137801
-
XPS determination of uranium oxidation states
-
Ilton E.S., Bagus P.S. XPS determination of uranium oxidation states. Surf. Interface Anal. 2011, 43:1549-1560.
-
(2011)
Surf. Interface Anal.
, vol.43
, pp. 1549-1560
-
-
Ilton, E.S.1
Bagus, P.S.2
-
22
-
-
33747452410
-
Reduction of uranyl in the interlayer region of low iron micas under anoxic and aerobic conditions
-
Ilton E.S., Heald S.M., Smith S.C., Elbert D., Liu C.X. Reduction of uranyl in the interlayer region of low iron micas under anoxic and aerobic conditions. Environ. Sci. Technol. 2006, 40:5003-5009.
-
(2006)
Environ. Sci. Technol.
, vol.40
, pp. 5003-5009
-
-
Ilton, E.S.1
Heald, S.M.2
Smith, S.C.3
Elbert, D.4
Liu, C.X.5
-
23
-
-
75349106588
-
Influence of dynamical conditions on the reduction of U-VI at the magnetite-solution interface
-
Ilton E.S., Boily J.F., Buck E.C., Skomurski F.N., Rosso K.M., Cahill C.L., Bargar J.R., Felmy A.R. Influence of dynamical conditions on the reduction of U-VI at the magnetite-solution interface. Environ. Sci. Technol. 2010, 44:170-176.
-
(2010)
Environ. Sci. Technol.
, vol.44
, pp. 170-176
-
-
Ilton, E.S.1
Boily, J.F.2
Buck, E.C.3
Skomurski, F.N.4
Rosso, K.M.5
Cahill, C.L.6
Bargar, J.R.7
Felmy, A.R.8
-
24
-
-
84865727992
-
Reduction of U(VI) incorporated in the structure of hematite
-
Ilton E.S., Pacheco J.S.L., Bargar J.R., Shi Z., Liu J., Kovarik L., Engelhard M.H., Felmy A.R. Reduction of U(VI) incorporated in the structure of hematite. Environ. Sci. Technol. 2012, 46:9428-9436.
-
(2012)
Environ. Sci. Technol.
, vol.46
, pp. 9428-9436
-
-
Ilton, E.S.1
Pacheco, J.S.L.2
Bargar, J.R.3
Shi, Z.4
Liu, J.5
Kovarik, L.6
Engelhard, M.H.7
Felmy, A.R.8
-
26
-
-
33746054172
-
Solubility of schoepite: comparison and selection of complexation constants for U(VI)
-
Jang J.-H., Dempsey B.A., Burgos W.D. Solubility of schoepite: comparison and selection of complexation constants for U(VI). Water Res. 2006, 40:2738-2746.
-
(2006)
Water Res.
, vol.40
, pp. 2738-2746
-
-
Jang, J.-H.1
Dempsey, B.A.2
Burgos, W.D.3
-
27
-
-
33645849801
-
Computer simulation of electron transfer at hematite surfaces
-
Kerisit S., Rosso K.M. Computer simulation of electron transfer at hematite surfaces. Geochim. Cosmochim. Acta 2006, 70:1888-1903.
-
(2006)
Geochim. Cosmochim. Acta
, vol.70
, pp. 1888-1903
-
-
Kerisit, S.1
Rosso, K.M.2
-
28
-
-
84961980743
-
COSMO - a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
-
Klamt A., Schuurmann G. COSMO - a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient. J. Chem. Soc. Perkin Trans. 1993, 2:799-805.
-
(1993)
J. Chem. Soc. Perkin Trans.
, vol.2
, pp. 799-805
-
-
Klamt, A.1
Schuurmann, G.2
-
29
-
-
84865732662
-
Ab initio pseudopotentials for Hg through Rn. I. Parameter sets and atomic calculations
-
Küchle W., Dolg M., Stoll H., Preuss H. Ab initio pseudopotentials for Hg through Rn. I. Parameter sets and atomic calculations. Mol. Phys. 1991, 74:1245-1263.
-
(1991)
Mol. Phys.
, vol.74
, pp. 1245-1263
-
-
Küchle, W.1
Dolg, M.2
Stoll, H.3
Preuss, H.4
-
31
-
-
33748216903
-
Electron transfer reactions in chemistry: theory and experiment (nobel lecture)
-
Marcus R.A. Electron transfer reactions in chemistry: theory and experiment (nobel lecture). Angew. Chem., Int. Ed. Engl. 1993, 32:1111-1222.
-
(1993)
Angew. Chem., Int. Ed. Engl.
, vol.32
, pp. 1111-1222
-
-
Marcus, R.A.1
-
32
-
-
0022004980
-
Electron transfers in chemistry and biology
-
Marcus R.A., Sutin N. Electron transfers in chemistry and biology. Biochim. Biophys. Acta 1985, 811:265-322.
-
(1985)
Biochim. Biophys. Acta
, vol.811
, pp. 265-322
-
-
Marcus, R.A.1
Sutin, N.2
-
34
-
-
64349091536
-
Comment on "reductive immobilization of uranium(VI) by amorphous iron sulfide"
-
Noubactep C. Comment on "reductive immobilization of uranium(VI) by amorphous iron sulfide". Environ. Sci. Technol. 2009, 43:1236.
-
(2009)
Environ. Sci. Technol.
, vol.43
, pp. 1236
-
-
Noubactep, C.1
-
35
-
-
48749101555
-
Heterogeneous reduction of Tc(VII) by Fe(II) at the solid-water interface
-
Peretyazhko T., Zachara J.M., Heald S.M., Jeon B.H., Kukkadapu R.K., Liu C., Moore D., Resch C.T. Heterogeneous reduction of Tc(VII) by Fe(II) at the solid-water interface. Geochim. Cosmochim. Acta 2008, 72:1521-1539.
-
(2008)
Geochim. Cosmochim. Acta
, vol.72
, pp. 1521-1539
-
-
Peretyazhko, T.1
Zachara, J.M.2
Heald, S.M.3
Jeon, B.H.4
Kukkadapu, R.K.5
Liu, C.6
Moore, D.7
Resch, C.T.8
-
36
-
-
77954031769
-
A first principles study of the oxidation energetic and kinetics of realgar
-
Renock D., Becker U. A first principles study of the oxidation energetic and kinetics of realgar. Geochim. Cosmochim. Acta 2010, 74:4266-4284.
-
(2010)
Geochim. Cosmochim. Acta
, vol.74
, pp. 4266-4284
-
-
Renock, D.1
Becker, U.2
-
37
-
-
0037370197
-
Proximity effects on semiconducting mineral surfaces II: distance dependence of indirect interactions
-
Rosso K.M., Becker U. Proximity effects on semiconducting mineral surfaces II: distance dependence of indirect interactions. Geochim. Cosmochim. Acta 2003, 67:941-953.
-
(2003)
Geochim. Cosmochim. Acta
, vol.67
, pp. 941-953
-
-
Rosso, K.M.1
Becker, U.2
-
38
-
-
33748265331
-
Electron transfer in environmental systems: a frontier for theoretical chemistry
-
Rosso K.M., Dupuis M. Electron transfer in environmental systems: a frontier for theoretical chemistry. Theor. Chem. Acc. 2006, 116:124-136.
-
(2006)
Theor. Chem. Acc.
, vol.116
, pp. 124-136
-
-
Rosso, K.M.1
Dupuis, M.2
-
39
-
-
84961979580
-
Outer-sphere electron transfer kinetics of metal ion oxidation by molecular oxygen
-
Rosso K.M., Morgan J.J. Outer-sphere electron transfer kinetics of metal ion oxidation by molecular oxygen. Geochim. Cosmochim. Acta 2002, 66:4223-4233.
-
(2002)
Geochim. Cosmochim. Acta
, vol.66
, pp. 4223-4233
-
-
Rosso, K.M.1
Morgan, J.J.2
-
41
-
-
3042642758
-
Aspects of aqueous iron and manganese (II/III) self-exchange electron transfer reactions
-
Rosso K.M., Smith D.M.A., Dupuis M. Aspects of aqueous iron and manganese (II/III) self-exchange electron transfer reactions. J. Phys. Chem. A 2004, 108:5242-5248.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 5242-5248
-
-
Rosso, K.M.1
Smith, D.M.A.2
Dupuis, M.3
-
42
-
-
26344435738
-
Fully optimized contracted gaussian-basis sets for atoms Li to Kr
-
Schafer A., Horn H., Ahlrichs R. Fully optimized contracted gaussian-basis sets for atoms Li to Kr. J. Chem. Phys. 1992, 97:2571-2577.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2571-2577
-
-
Schafer, A.1
Horn, H.2
Ahlrichs, R.3
-
43
-
-
0000539641
-
A solution chemists view of surface-chemistry
-
Schindler P.W. A solution chemists view of surface-chemistry. Pure Appl. Chem. 1991, 63:1697-1704.
-
(1991)
Pure Appl. Chem.
, vol.63
, pp. 1697-1704
-
-
Schindler, P.W.1
-
45
-
-
84862539676
-
Molecular-scale structure of uranium(VI) immobilized with goethite and phosphate
-
Singh A., Catalano J.G., Ulrich K.U., Giammar D.E. Molecular-scale structure of uranium(VI) immobilized with goethite and phosphate. Environ. Sci. Technol. 2012, 46:6594-6603.
-
(2012)
Environ. Sci. Technol.
, vol.46
, pp. 6594-6603
-
-
Singh, A.1
Catalano, J.G.2
Ulrich, K.U.3
Giammar, D.E.4
-
47
-
-
77955309392
-
NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations
-
Valiev M., Bylaska E.J., Govind N., Kowalski K., Straatsma T.P., Van Dam H.J.J., Wang D., Nieplocha J., Apra E., Windus T.L., de Jong W. NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations. Comput. Phys. Commun. 2010, 181:1477-1489.
-
(2010)
Comput. Phys. Commun.
, vol.181
, pp. 1477-1489
-
-
Valiev, M.1
Bylaska, E.J.2
Govind, N.3
Kowalski, K.4
Straatsma, T.P.5
Van Dam, H.J.J.6
Wang, D.7
Nieplocha, J.8
Apra, E.9
Windus, T.L.10
de Jong, W.11
-
48
-
-
0028554504
-
Uranium(VI) adsorption to ferrihydrite: application of a surface complexation model
-
Waite T.D., Davis J.A., Payne T.E., Waychunas G.A., Xu N. Uranium(VI) adsorption to ferrihydrite: application of a surface complexation model. Geochim. Cosmochim. Acta 1994, 58:5465-5478.
-
(1994)
Geochim. Cosmochim. Acta
, vol.58
, pp. 5465-5478
-
-
Waite, T.D.1
Davis, J.A.2
Payne, T.E.3
Waychunas, G.A.4
Xu, N.5
-
49
-
-
77957560631
-
Green rust reduction of chromium part 2: comparison of heterogeneous and homogeneous chromate reduction
-
Wander M.C.F., Schoonen M.A.A. Green rust reduction of chromium part 2: comparison of heterogeneous and homogeneous chromate reduction. J. Phys. Chem. C 2010, 114:16408-16415.
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 16408-16415
-
-
Wander, M.C.F.1
Schoonen, M.A.A.2
-
50
-
-
33748249317
-
Kinetics of triscarbonato uranyl reduction by aqueous ferrous iron: a theoretical study
-
Wander M.C.F., Kerisit S., Rosso K.M., Schoonen M.A.A. Kinetics of triscarbonato uranyl reduction by aqueous ferrous iron: a theoretical study. J. Phys. Chem. A 2006, 110:9691-9701.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 9691-9701
-
-
Wander, M.C.F.1
Kerisit, S.2
Rosso, K.M.3
Schoonen, M.A.A.4
-
51
-
-
0024874947
-
Redox processes catalyzed by hydrous oxide surfaces
-
Wehrli B., Sulzberger B., Stumm W. Redox processes catalyzed by hydrous oxide surfaces. Chem. Geol. 1989, 78:167-179.
-
(1989)
Chem. Geol.
, vol.78
, pp. 167-179
-
-
Wehrli, B.1
Sulzberger, B.2
Stumm, W.3
-
52
-
-
0028573275
-
Interaction between aqueous uranium(VI) and sulfide minerals - spectroscopic evidence for sorption and reduction
-
Wersin P., Hochella M.F., Persson P., Redden G., Leckie J.O., Harris D.W. Interaction between aqueous uranium(VI) and sulfide minerals - spectroscopic evidence for sorption and reduction. Geochim. Cosmochim. Acta 1994, 58:2829-2843.
-
(1994)
Geochim. Cosmochim. Acta
, vol.58
, pp. 2829-2843
-
-
Wersin, P.1
Hochella, M.F.2
Persson, P.3
Redden, G.4
Leckie, J.O.5
Harris, D.W.6
-
53
-
-
34147137760
-
Reduction of pertechnetate [Tc(VII)] by aqueous Fe(II) and the nature of solid phase redox products
-
Zachara J.M., Heald S.M., Jeon B.H., Kukkadapu R.K., Liu C.X., McKinley J.P., Dohnalkova A.C., Moore D.A. Reduction of pertechnetate [Tc(VII)] by aqueous Fe(II) and the nature of solid phase redox products. Geochim. Cosmochim. Acta 2007, 71:2137-2157.
-
(2007)
Geochim. Cosmochim. Acta
, vol.71
, pp. 2137-2157
-
-
Zachara, J.M.1
Heald, S.M.2
Jeon, B.H.3
Kukkadapu, R.K.4
Liu, C.X.5
McKinley, J.P.6
Dohnalkova, A.C.7
Moore, D.A.8
-
54
-
-
81055140729
-
U(VI) reduction by Fe(II) on hematite nanoparticles
-
Zeng H., Giammar D.E. U(VI) reduction by Fe(II) on hematite nanoparticles. J. Nanopart. Res. 2011, 13:3741-3754.
-
(2011)
J. Nanopart. Res.
, vol.13
, pp. 3741-3754
-
-
Zeng, H.1
Giammar, D.E.2
|