-
1
-
-
59749085434
-
Improved Performance of a Biomaterial-based Cation Exchanger for the Adsorption of Uranium(VI) from Water and Nuclear Industry Wastewater
-
Anirudhan, T. S.; Radhakrishnan, P. G. Improved Performance of a Biomaterial-based Cation Exchanger for the Adsorption of Uranium(VI) from Water and Nuclear Industry Wastewater J. Environ. Radioact. 2009, 100, 250-257
-
(2009)
J. Environ. Radioact.
, vol.100
, pp. 250-257
-
-
Anirudhan, T.S.1
Radhakrishnan, P.G.2
-
2
-
-
76449100550
-
Strontium and Calcium Ion Adsorption by Molecularly Imprinted Hybrid Gel
-
Li, Q.; Liu, H.; Liu, T.; Guo, M.; Qing, B.; Ye, X.; Wu, Z. Strontium and Calcium Ion Adsorption by Molecularly Imprinted Hybrid Gel Chem. Eng. J. 2010, 157, 401-407
-
(2010)
Chem. Eng. J.
, vol.157
, pp. 401-407
-
-
Li, Q.1
Liu, H.2
Liu, T.3
Guo, M.4
Qing, B.5
Ye, X.6
Wu, Z.7
-
3
-
-
84858338184
-
Uranium Removal from Water Using Cellulose Triacetate Membranes Added with Activated Carbon
-
Villalobos-Rodriguez, R.; Montero-Cabrera, M. E.; Esparza-Ponce, H. E.; Herrera-Peraza, E. F.; Ballinas-Casarrubias, M. L. Uranium Removal from Water Using Cellulose Triacetate Membranes Added with Activated Carbon Appl. Radiat. Isot. 2012, 70, 872-881
-
(2012)
Appl. Radiat. Isot.
, vol.70
, pp. 872-881
-
-
Villalobos-Rodriguez, R.1
Montero-Cabrera, M.E.2
Esparza-Ponce, H.E.3
Herrera-Peraza, E.F.4
Ballinas-Casarrubias, M.L.5
-
4
-
-
84890313873
-
Diglycolamide Functionalized Multi-Walled Carbon Nanotubes for Removal of Uranium from Aqueous Solution by Adsorption
-
Deb, A. K. S.; Ilaiyaraja, P.; Ponraju, D.; Venkatraman, B. Diglycolamide Functionalized Multi-Walled Carbon Nanotubes for Removal of Uranium from Aqueous Solution by Adsorption J. Radioanal. Nucl. Chem. 2011, 291, 877-883
-
(2011)
J. Radioanal. Nucl. Chem.
, vol.291
, pp. 877-883
-
-
Deb, A.K.S.1
Ilaiyaraja, P.2
Ponraju, D.3
Venkatraman, B.4
-
5
-
-
84876292231
-
Removal of U(VI) from Aqueous Solutions by Using MWCNTs and Chitosan Modified MWCNTs
-
Chen, J.-H.; Lu, D.-Q.; Chen, B.; OuYang, P.-K. Removal of U(VI) from Aqueous Solutions by Using MWCNTs and Chitosan Modified MWCNTs J. Radioanal. Nucl. Chem. 2012, 295, 2233-2241
-
(2012)
J. Radioanal. Nucl. Chem.
, vol.295
, pp. 2233-2241
-
-
Chen, J.-H.1
Lu, D.-Q.2
Chen, B.3
Ouyang, P.-K.4
-
6
-
-
84866043966
-
Uranium (VI) Sorption by Multiwalled Carbon Nanotubes from Aqueous Solution
-
Fasfous, I. I.; Dawoud, J. N. Uranium (VI) Sorption by Multiwalled Carbon Nanotubes From Aqueous Solution Appl. Surf. Sci. 2012, 259, 433-440
-
(2012)
Appl. Surf. Sci.
, vol.259
, pp. 433-440
-
-
Fasfous, I.I.1
Dawoud, J.N.2
-
7
-
-
80855147703
-
The Removal of U(VI) from Aqueous Solution by Oxidized Multiwalled Carbon Nanotubes
-
Sun, Y.; Yang, S.; Sheng, G.; Guo, Z.; Wang, X. The Removal of U(VI) from Aqueous Solution by Oxidized Multiwalled Carbon Nanotubes J. Environ. Radioact. 2012, 105, 40-47
-
(2012)
J. Environ. Radioact.
, vol.105
, pp. 40-47
-
-
Sun, Y.1
Yang, S.2
Sheng, G.3
Guo, Z.4
Wang, X.5
-
8
-
-
84878109889
-
Development of an Extractive Spectrophotometric Method for Uranium Using MWCNTs as Solid Phase and Arsenazo(III) as Chromophore
-
Shah, F.; Soylak, M.; Kazi, T. G.; Afridi, H. I. Development of an Extractive Spectrophotometric Method for Uranium Using MWCNTs as Solid Phase and Arsenazo(III) as Chromophore J. Radioanal. Nucl. Chem. 2013, 296, 1239-1245
-
(2013)
J. Radioanal. Nucl. Chem.
, vol.296
, pp. 1239-1245
-
-
Shah, F.1
Soylak, M.2
Kazi, T.G.3
Afridi, H.I.4
-
9
-
-
84860462217
-
Preconcentration of U(VI) Ions on Few-layered Graphene Oxide Nanosheets from Aqueous Solutions
-
Zhao, G.; Wen, T.; Yang, X.; Yang, S.; Liao, J.; Hu, J.; Shao, D.; Wang, X. Preconcentration of U(VI) Ions on Few-layered Graphene Oxide Nanosheets From Aqueous Solutions Dalton Trans. 2012, 41, 6182-6188
-
(2012)
Dalton Trans.
, vol.41
, pp. 6182-6188
-
-
Zhao, G.1
Wen, T.2
Yang, X.3
Yang, S.4
Liao, J.5
Hu, J.6
Shao, D.7
Wang, X.8
-
10
-
-
84867118567
-
Uranium(VI) Adsorption on Graphene Oxide Nanosheets from Aqueous Solutions
-
Li, Z.; Chen, F.; Yuan, L.; Liu, Y.; Zhao, Y.; Chai, Z.; Shi, W. Uranium(VI) Adsorption on Graphene Oxide Nanosheets From Aqueous Solutions Chem. Eng. J. 2012, 210, 539-546
-
(2012)
Chem. Eng. J.
, vol.210
, pp. 539-546
-
-
Li, Z.1
Chen, F.2
Yuan, L.3
Liu, Y.4
Zhao, Y.5
Chai, Z.6
Shi, W.7
-
11
-
-
84873654799
-
Synthesis and Application of Magnetic Graphene/iron Oxides Composite for the Removal of U(VI) from Aqueous Solutions
-
Zong, P.; Wang, S.; Zhao, Y.; Wang, H.; Pan, H.; He, C. Synthesis and Application of Magnetic Graphene/iron Oxides Composite for the Removal of U(VI) From Aqueous Solutions Chem. Eng. J. 2013, 220, 45-52
-
(2013)
Chem. Eng. J.
, vol.220
, pp. 45-52
-
-
Zong, P.1
Wang, S.2
Zhao, Y.3
Wang, H.4
Pan, H.5
He, C.6
-
12
-
-
84873024178
-
Graphene Oxide for Effective Radionuclide Removal
-
Romanchuk, A. Y.; Slesarev, A. S.; Kalmykov, S. N.; Kosynkin, D. V.; Tour, J. M. Graphene Oxide for Effective Radionuclide Removal Phys. Chem. Chem. Phys. 2013, 15, 2321-2327
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 2321-2327
-
-
Romanchuk, A.Y.1
Slesarev, A.S.2
Kalmykov, S.N.3
Kosynkin, D.V.4
Tour, J.M.5
-
13
-
-
84893978340
-
Determination of Chemical Affinity of Graphene Oxide Nanosheets with Radionuclides Investigated by Macroscopic, Spectroscopic and Modeling Techniques
-
Ding, C.; Cheng, W.; Sun, Y.; Wang, X. Determination of Chemical Affinity of Graphene Oxide Nanosheets with Radionuclides Investigated by Macroscopic, Spectroscopic and Modeling Techniques Dalton Trans. 2013, 43, 3888-3896
-
(2013)
Dalton Trans.
, vol.43
, pp. 3888-3896
-
-
Ding, C.1
Cheng, W.2
Sun, Y.3
Wang, X.4
-
14
-
-
7444220645
-
Electric Field Effect in Atomically Thin Carbon Films
-
Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Zhang, Y.; Dubonos, S. V.; Grigorieva, I. V.; Firsov, A. A. Electric Field Effect in Atomically Thin Carbon Films Science 2004, 306, 666-669
-
(2004)
Science
, vol.306
, pp. 666-669
-
-
Novoselov, K.S.1
Geim, A.K.2
Morozov, S.V.3
Jiang, D.4
Zhang, Y.5
Dubonos, S.V.6
Grigorieva, I.V.7
Firsov, A.A.8
-
16
-
-
79959788241
-
Graphene-Based Materials: Synthesis, Characterization, Properties, and Applications
-
Huang, X.; Yin, Z.; Wu, S.; Qi, X.; He, Q.; Zhang, Q.; Yan, Q.; Boey, F.; Zhang, H. Graphene-Based Materials: Synthesis, Characterization, Properties, and Applications Small 2011, 7, 1876-1902
-
(2011)
Small
, vol.7
, pp. 1876-1902
-
-
Huang, X.1
Yin, Z.2
Wu, S.3
Qi, X.4
He, Q.5
Zhang, Q.6
Yan, Q.7
Boey, F.8
Zhang, H.9
-
17
-
-
84867304039
-
A Roadmap for Graphene
-
Novoselov, K. S.; Fal'ko, V. I.; Colombo, L.; Gellert, P. R.; Schwab, M. G.; Kim, K. A Roadmap for Graphene Nature 2012, 490, 192-200
-
(2012)
Nature
, vol.490
, pp. 192-200
-
-
Novoselov, K.S.1
Fal'Ko, V.I.2
Colombo, L.3
Gellert, P.R.4
Schwab, M.G.5
Kim, K.6
-
18
-
-
84869194037
-
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
-
Georgakilas, V.; Otyepka, M.; Bourlinos, A. B.; Chandra, V.; Kim, N.; Kemp, K. C.; Hobza, P.; Zboril, R.; Kim, K. S. Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications Chem. Rev. 2012, 112, 6156-6214
-
(2012)
Chem. Rev.
, vol.112
, pp. 6156-6214
-
-
Georgakilas, V.1
Otyepka, M.2
Bourlinos, A.B.3
Chandra, V.4
Kim, N.5
Kemp, K.C.6
Hobza, P.7
Zboril, R.8
Kim, K.S.9
-
19
-
-
33748319446
-
Relativistic Density Functional Theory Study of Dioxoactinide(VI) and -(V) Complexation with Alaskaphyrin and Related Schiff-Base Macrocyclic Ligands
-
Shamov, G. A.; Schreckenbach, G. Relativistic Density Functional Theory Study of Dioxoactinide(VI) and -(V) Complexation with Alaskaphyrin and Related Schiff-Base Macrocyclic Ligands J. Phys. Chem. A 2006, 110, 9486-9499
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 9486-9499
-
-
Shamov, G.A.1
Schreckenbach, G.2
-
20
-
-
52949117662
-
Theoretical Study of the Uranyl Complexation by Hydroxamic and Carboxylic Acid Groups
-
Boulet, B. A.; Joubert, L.; Cote, G. R.; Bouvier-Capely, C. L.; Cossonnet, C.; Adamo, C. Theoretical Study of the Uranyl Complexation by Hydroxamic and Carboxylic Acid Groups Inorg. Chem. 2008, 47, 7983-7991
-
(2008)
Inorg. Chem.
, vol.47
, pp. 7983-7991
-
-
Boulet, B.A.1
Joubert, L.2
Cote, G.R.3
Bouvier-Capely, C.L.4
Cossonnet, C.5
Adamo, C.6
-
21
-
-
79959209339
-
Designing Novel Materials Through Functionalization of Carbon Nanotubes for Application in Nuclear Waste Management: Speciation of Uranyl
-
Sundararajan, M.; Ghosh, S. K. Designing Novel Materials Through Functionalization of Carbon Nanotubes for Application in Nuclear Waste Management: Speciation of Uranyl J. Phys. Chem. A 2011, 115, 6732-6737
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 6732-6737
-
-
Sundararajan, M.1
Ghosh, S.K.2
-
22
-
-
84859126791
-
On the Interaction of Uranyl with Functionalized Fullerenes: A DFT Investigation
-
Jena, N. K.; Sundararajan, M.; Ghosh, S. K. On the Interaction of Uranyl with Functionalized Fullerenes: a DFT Investigation RSC Adv. 2012, 2, 2994-2999
-
(2012)
RSC Adv.
, vol.2
, pp. 2994-2999
-
-
Jena, N.K.1
Sundararajan, M.2
Ghosh, S.K.3
-
23
-
-
84860538881
-
Can Functionalized Cucurbituril Bind Actinyl Cations Efficiently? A Density Functional Theory Based Investigation
-
Sundararajan, M.; Sinha, V.; Bandyopadhyay, T.; Ghosh, S. K. Can Functionalized Cucurbituril Bind Actinyl Cations Efficiently? A Density Functional Theory Based Investigation J. Phys. Chem. A 2012, 116, 4388-4395
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 4388-4395
-
-
Sundararajan, M.1
Sinha, V.2
Bandyopadhyay, T.3
Ghosh, S.K.4
-
24
-
-
84887909038
-
Design of Nanosensors for Fissile Materials in Nuclear Waste Water
-
Kumar, N.; Seminario, J. M. Design of Nanosensors for Fissile Materials in Nuclear Waste Water J. Phys. Chem. C 2013, 117, 24033-24041
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 24033-24041
-
-
Kumar, N.1
Seminario, J.M.2
-
25
-
-
33745223474
-
Water Structure and Aqueous Uranyl(VI) Adsorption Equilibria onto External Surfaces of Beidellite, Montmorillonite, and Pyrophyllite: Results from Molecular Simulations
-
Greathouse, J. A.; Cygan, R. T. Water Structure and Aqueous Uranyl(VI) Adsorption Equilibria onto External Surfaces of Beidellite, Montmorillonite, and Pyrophyllite: Results from Molecular Simulations Environ. Sci. Technol. 2006, 40, 3865-3871
-
(2006)
Environ. Sci. Technol.
, vol.40
, pp. 3865-3871
-
-
Greathouse, J.A.1
Cygan, R.T.2
-
26
-
-
51449109895
-
Density Functional Model Studies of Uranyl Adsorption on (001) Surfaces of Kaolinite
-
Kremleva, A.; Krüger, S.; Rösch, N. Density Functional Model Studies of Uranyl Adsorption on (001) Surfaces of Kaolinite Langmuir 2008, 24, 9515-9524
-
(2008)
Langmuir
, vol.24
, pp. 9515-9524
-
-
Kremleva, A.1
Krüger, S.2
Rösch, N.3
-
27
-
-
79955991440
-
Crystallographic Controls on Uranyl Binding at the Quartz/Water Interface
-
Boily, J.-F.; Rosso, K. M. Crystallographic Controls on Uranyl Binding at the Quartz/Water Interface Phys. Chem. Chem. Phys. 2011, 13, 7845-7851
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 7845-7851
-
-
Boily, J.-F.1
Rosso, K.M.2
-
28
-
-
79951826149
-
Cluster-Models for Uranyl(VI) Adsorption on Alpha-Alumina
-
Glezakou, V. A.; deJong, W. A. Cluster-Models for Uranyl(VI) Adsorption on Alpha-Alumina J. Phys. Chem. A 2011, 115, 1257-1263
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 1257-1263
-
-
Glezakou, V.A.1
Dejong, W.A.2
-
29
-
-
84863976409
-
Atomistic Simulations of Calcium Uranyl(VI) Carbonate Adsorption on Calcite and Stepped-Calcite Surfaces
-
Doudou, S.; Vaughan, D. J.; Livens, F. R.; Burton, N. A. Atomistic Simulations of Calcium Uranyl(VI) Carbonate Adsorption on Calcite and Stepped-Calcite Surfaces Environ. Sci. Technol. 2012, 46, 7587-7594
-
(2012)
Environ. Sci. Technol.
, vol.46
, pp. 7587-7594
-
-
Doudou, S.1
Vaughan, D.J.2
Livens, F.R.3
Burton, N.A.4
-
30
-
-
84867828060
-
2 (An = Th, Pa, U, Np, Pu, and Am): A Screened Hybrid Density Functional Study
-
2 (An = Th, Pa, U, Np, Pu, and Am): a Screened Hybrid Density Functional Study J. Chem. Phys. 2012, 137, 154707
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 154707
-
-
Wen, X.D.1
Martin, R.L.2
Roy, L.E.3
Scuseria, G.E.4
Rudin, S.P.5
Batista, E.R.6
McCleskey, T.M.7
Scott, B.L.8
Bauer, E.9
Joyce, J.J.10
-
31
-
-
33846449902
-
2: Structural, Spectroscopic, and Theoretical Evidence for Imidazole Binding to the Uranyl Ion
-
2: Structural, Spectroscopic, and Theoretical Evidence for Imidazole Binding to the Uranyl Ion J. Am. Chem. Soc. 2006, 129, 526-536
-
(2006)
J. Am. Chem. Soc.
, vol.129
, pp. 526-536
-
-
Gutowski, K.E.1
Cocalia, V.A.2
Griffin, S.T.3
Bridges, N.J.4
Dixon, D.A.5
Rogers, R.D.6
-
32
-
-
77957319344
-
Selective Recognition and Extraction of the Uranyl Ion
-
Sather, A. C.; Berryman, O. B.; Rebek, J. Selective Recognition and Extraction of the Uranyl Ion J. Am. Chem. Soc. 2010, 132, 13572-13574
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 13572-13574
-
-
Sather, A.C.1
Berryman, O.B.2
Rebek, J.3
-
33
-
-
79954570468
-
Investigation of Uranyl Nitrate Ion Pairs Complexed with Amide Ligands Using Electrospray Ionization Ion Trap Mass Spectrometry and Density Functional Theory
-
Gresham, G. L.; Dinescu, A.; Benson, M. T.; Van Stipdonk, M. J.; Groenewold, G. S. Investigation of Uranyl Nitrate Ion Pairs Complexed with Amide Ligands Using Electrospray Ionization Ion Trap Mass Spectrometry and Density Functional Theory J. Phys. Chem. A 2011, 115, 3497-3508
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 3497-3508
-
-
Gresham, G.L.1
Dinescu, A.2
Benson, M.T.3
Van Stipdonk, M.J.4
Groenewold, G.S.5
-
34
-
-
84874546287
-
Recent Developments in Synthesis and Structural Chemistry of Nonaqueous Actinide Complexes
-
Jones, M. B.; Gaunt, A. Recent Developments in Synthesis and Structural Chemistry of Nonaqueous Actinide Complexes J. Chem. Rev. 2012, 113, 1137-1198
-
(2012)
J. Chem. Rev.
, vol.113
, pp. 1137-1198
-
-
Jones, M.B.1
Gaunt, A.2
-
35
-
-
84873814921
-
Recovery of Uranium from Seawater: A Review of Current Status and Future Research Needs
-
Kim, J.; Tsouris, C.; Mayes, R. T.; Oyola, Y.; Saito, T.; Janke, C. J.; Dai, S.; Schneider, E.; Sachde, D. Recovery of Uranium from Seawater: A Review of Current Status and Future Research Needs Sep. Sci. Technol. 2012, 48, 367-387
-
(2012)
Sep. Sci. Technol.
, vol.48
, pp. 367-387
-
-
Kim, J.1
Tsouris, C.2
Mayes, R.T.3
Oyola, Y.4
Saito, T.5
Janke, C.J.6
Dai, S.7
Schneider, E.8
Sachde, D.9
-
36
-
-
84874541069
-
Recent Advances in Aqueous Actinide Chemistry and Thermodynamics
-
Altmaier, M.; Gaona, X.; Fanghänel, T. Recent Advances in Aqueous Actinide Chemistry and Thermodynamics Chem. Rev. 2013, 113, 901-943
-
(2013)
Chem. Rev.
, vol.113
, pp. 901-943
-
-
Altmaier, M.1
Gaona, X.2
Fanghänel, T.3
-
37
-
-
77949880674
-
The Chemistry of Graphene Oxide
-
Dreyer, D. R.; Park, S.; Bielawski, C. W.; Ruoff, R. S. The Chemistry of Graphene Oxide Chem. Soc. Rev. 2010, 39, 228-240
-
(2010)
Chem. Soc. Rev.
, vol.39
, pp. 228-240
-
-
Dreyer, D.R.1
Park, S.2
Bielawski, C.W.3
Ruoff, R.S.4
-
38
-
-
84962385162
-
Role of Solvation in the Reduction of the Uranyl Dication by Water: A Density Functional Study
-
Moskaleva, L. V.; Krüger, S.; Spörl, A.; Rösch, N. Role of Solvation in the Reduction of the Uranyl Dication by Water: A Density Functional Study Inorg. Chem. 2004, 43, 4080-4090
-
(2004)
Inorg. Chem.
, vol.43
, pp. 4080-4090
-
-
Moskaleva, L.V.1
Krüger, S.2
Spörl, A.3
Rösch, N.4
-
39
-
-
26844509303
-
The Coordination of Uranyl in Water: A Combined Quantum Chemical and Molecular Simulation Study
-
Hagberg, D.; Karlström, G.; Roos, B. O.; Gagliardi, L. The Coordination of Uranyl in Water: A Combined Quantum Chemical and Molecular Simulation Study J. Am. Chem. Soc. 2005, 127, 14250-14256
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 14250-14256
-
-
Hagberg, D.1
Karlström, G.2
Roos, B.O.3
Gagliardi, L.4
-
40
-
-
84961986801
-
Density Functional Studies of Actinyl Aquo Complexes Studied Using Small-Core Effective Core Potentials and a Scalar Four-Component Relativistic Method
-
Shamov, G. A.; Schreckenbach, G. Density Functional Studies of Actinyl Aquo Complexes Studied Using Small-Core Effective Core Potentials and a Scalar Four-Component Relativistic Method J. Phys. Chem. A 2005, 109, 10961-10974
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 10961-10974
-
-
Shamov, G.A.1
Schreckenbach, G.2
-
42
-
-
84881182944
-
Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation
-
Kerisit, S.; Liu, C. Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation J. Phys. Chem. A 2013, 117, 6421-6432
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 6421-6432
-
-
Kerisit, S.1
Liu, C.2
-
43
-
-
84884529941
-
Structure and Dynamics of Uranyl(VI) and Plutonyl(VI) Cations in Ionic Liquid/Water Mixtures via Molecular Dynamics Simulations
-
Maerzke, K. A.; Goff, G. S.; Runde, W. H.; Schneider, W. F.; Maginn, E. J. Structure and Dynamics of Uranyl(VI) and Plutonyl(VI) Cations in Ionic Liquid/Water Mixtures via Molecular Dynamics Simulations J. Phys. Chem. B 2013, 117, 10852-10868
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 10852-10868
-
-
Maerzke, K.A.1
Goff, G.S.2
Runde, W.H.3
Schneider, W.F.4
Maginn, E.J.5
-
44
-
-
77952819729
-
-
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.; Gaussian09; Gaussian, Inc.: Wallingford CT, 2009.
-
(2009)
Gaussian09
-
-
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
-
45
-
-
4243553426
-
Density-Functional Exchange-Energy Approximation with Correct Asymptotic-Behavior
-
Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymptotic-Behavior Phys. Rev. A 1988, 38, 3098-3100
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
46
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron-Density
-
Lee, C. T.; Yang, W. T.; 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.T.1
Yang, W.T.2
Parr, R.G.3
-
47
-
-
80053295441
-
Trivalent Actinide and Lanthanide Separations by Tetradentate Nitrogen Ligands: A Quantum Chemistry Study
-
Lan, J.-H.; Shi, W.-Q.; Yuan, L.-Y.; Zhao, Y.-L.; Li, J.; Chai, Z.-F. Trivalent Actinide and Lanthanide Separations by Tetradentate Nitrogen Ligands: A Quantum Chemistry Study Inorg. Chem. 2011, 50, 9230-9237
-
(2011)
Inorg. Chem.
, vol.50
, pp. 9230-9237
-
-
Lan, J.-H.1
Shi, W.-Q.2
Yuan, L.-Y.3
Zhao, Y.-L.4
Li, J.5
Chai, Z.-F.6
-
48
-
-
84872117945
-
2+ Complexes with Carbamoylmethylphosphine Oxide Ligands
-
2+ Complexes with Carbamoylmethylphosphine Oxide Ligands Inorg. Chem. 2013, 52, 196-203
-
(2013)
Inorg. Chem.
, vol.52
, pp. 196-203
-
-
Wang, C.-Z.1
Lan, J.-H.2
Zhao, Y.-L.3
Chai, Z.-F.4
Wei, Y.-Z.5
Shi, W.-Q.6
-
49
-
-
84885126621
-
2CMPO Ligands: Insights from Density Functional Theory
-
2CMPO Ligands: Insights from Density Functional Theory Inorg. Chem. 2013, 52, 10904-10911
-
(2013)
Inorg. Chem.
, vol.52
, pp. 10904-10911
-
-
Wang, C.-Z.1
Shi, W.-Q.2
Lan, J.-H.3
Zhao, Y.-L.4
Wei, Y.-Z.5
Chai, Z.-F.6
-
50
-
-
36449007808
-
Energy-Adjusted Pseudopotentials for the Actinides. Parameter Sets and Test Calculations for Thorium and Thorium Monoxide
-
Küchle, W.; Dolg, M.; Stoll, H.; Preuss, H. Energy-Adjusted Pseudopotentials for the Actinides. Parameter Sets and Test Calculations for Thorium and Thorium Monoxide J. Chem. Phys. 1994, 100, 7535-7542
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7535-7542
-
-
Küchle, W.1
Dolg, M.2
Stoll, H.3
Preuss, H.4
-
51
-
-
0037425675
-
Valence Basis Dets for Relativistic Energy-Consistent Small-Core Actinide Pseudopotentials
-
Cao, X.; Dolg, M.; Stoll, H. Valence Basis Dets for Relativistic Energy-Consistent Small-Core Actinide Pseudopotentials J. Chem. Phys. 2003, 118, 487-496
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 487-496
-
-
Cao, X.1
Dolg, M.2
Stoll, H.3
-
52
-
-
1442299383
-
Segmented Contraction Scheme for Small-Core Actinide Pseudopotential Basis Sets
-
Cao, X.; Dolg, M. Segmented Contraction Scheme for Small-Core Actinide Pseudopotential Basis Sets J. Mol. Struct. 2004, 673, 203-209
-
(2004)
J. Mol. Struct.
, vol.673
, pp. 203-209
-
-
Cao, X.1
Dolg, M.2
-
54
-
-
60049095331
-
Which Density Functional Should be Used to Study Actinyl Complexes?
-
Austin, J. P.; Burton, N. A.; Hillier, I. H.; Sundararajan, M.; Vincent, M. A. Which Density Functional Should be Used to Study Actinyl Complexes? Phys. Chem. Chem. Phys. 2009, 11, 1143-1145
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 1143-1145
-
-
Austin, J.P.1
Burton, N.A.2
Hillier, I.H.3
Sundararajan, M.4
Vincent, M.A.5
-
55
-
-
66349120487
-
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
-
Marenich, A. V.; Cramer, C. J.; Truhlar, D. G. Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions J. Phys. Chem. B 2009, 113, 6378-6396
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 6378-6396
-
-
Marenich, A.V.1
Cramer, C.J.2
Truhlar, D.G.3
-
56
-
-
0011083499
-
Intermolecular Interactions from a Natural Bond Orbital, Donor-Acceptor Viewpoint
-
Reed, A. E.; Curtiss, L. A.; Weinhold, F. Intermolecular Interactions from a Natural Bond Orbital, Donor-Acceptor Viewpoint Chem. Rev. 1988, 88, 899-926
-
(1988)
Chem. Rev.
, vol.88
, pp. 899-926
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
57
-
-
0035839701
-
Ab Initio Determination of the Torsional Spectra of Acetic Acid
-
Senent, M. L. Ab Initio Determination of the Torsional Spectra of Acetic Acid Mol. Phys. 2001, 99, 1311-1321
-
(2001)
Mol. Phys.
, vol.99
, pp. 1311
-
-
Senent, M.L.1
|