메뉴 건너뛰기




Volumn 118, Issue 44, 2014, Pages 10273-10280

Understanding the interactions of neptunium and plutonium ions with graphene oxide: Scalar-relativistic DFT investigations

Author keywords

[No Author keywords available]

Indexed keywords

GRAPHENE OXIDES;

EID: 84908626416     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp5069945     Document Type: Article
Times cited : (61)

References (62)
  • 1
    • 80052776521 scopus 로고    scopus 로고
    • An Overview of Dye Removal via Activated Carbon Adsorption Process
    • Foo, K. Y.; Hameed, B. H. An Overview of Dye Removal via Activated Carbon Adsorption Process. Desalin. Water Treat. 2010, 19, 255-274.
    • (2010) Desalin. Water Treat. , vol.19 , pp. 255-274
    • Foo, K.Y.1    Hameed, B.H.2
  • 2
    • 84890313873 scopus 로고    scopus 로고
    • 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
  • 3
    • 84876292231 scopus 로고    scopus 로고
    • 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
  • 4
    • 84866043966 scopus 로고    scopus 로고
    • 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
  • 5
    • 80855147703 scopus 로고    scopus 로고
    • 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
  • 6
    • 84878109889 scopus 로고    scopus 로고
    • 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
  • 8
    • 84867118567 scopus 로고    scopus 로고
    • 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
  • 9
    • 84860462217 scopus 로고    scopus 로고
    • Preconcentration of U(VI) Ions on Few-Layered Graphene Oxide Nanosheets from Aqueous Aolutions
    • 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 Aolutions. 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
  • 11
    • 84873654799 scopus 로고    scopus 로고
    • Synthesis and Application of Magnetic Graphene/Iron Oxides Composite for the Removal of U(VI) From Aqueous Aolutions
    • 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 Aolutions. 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
  • 13
    • 84893978340 scopus 로고    scopus 로고
    • 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. 2014, 43, 3888-3896.
    • (2014) Dalton Trans. , vol.43 , pp. 3888-3896
    • Ding, C.1    Cheng, W.2    Sun, Y.3    Wang, X.4
  • 15
  • 16
    • 79959788241 scopus 로고    scopus 로고
    • 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
  • 18
    • 78650121920 scopus 로고    scopus 로고
    • Reduction of Graphene Oxide via Bacterial Respiration
    • Salas, E. C.; Sun, Z.; Lüttge, A.; Tour, J. M. Reduction of Graphene Oxide via Bacterial Respiration. ACS Nano 2010, 4, 4852-4856.
    • (2010) ACS Nano , vol.4 , pp. 4852-4856
    • Salas, E.C.1    Sun, Z.2    Lüttge, A.3    Tour, J.M.4
  • 20
    • 78049352115 scopus 로고    scopus 로고
    • Toxicity of Graphene and Graphene Oxide Nanowalls Against Bacteria
    • Akhavan, O.; Ghaderi, E. Toxicity of Graphene and Graphene Oxide Nanowalls Against Bacteria. ACS Nano 2010, 4, 5731-5736.
    • (2010) ACS Nano , vol.4 , pp. 5731-5736
    • Akhavan, O.1    Ghaderi, E.2
  • 21
    • 25444520771 scopus 로고    scopus 로고
    • 2+ Complexes (n=4-6) in Aqueous Solution and Gas Phase
    • 2+ Complexes (n=4-6) in Aqueous Solution and Gas Phase. J. Chem. Phys. 2005, 123, 114309.
    • (2005) J. Chem. Phys. , vol.123 , pp. 114309
    • Cao, Z.J.1    Balasubramanian, K.2
  • 22
    • 34250358297 scopus 로고    scopus 로고
    • Electronic Structure and Bonding in Actinyl Ions and Their Analogs
    • Denning, R. G. Electronic Structure and Bonding in Actinyl Ions and Their Analogs. J. Phys. Chem. A 2007, 111, 4125-4143.
    • (2007) J. Phys. Chem. A , vol.111 , pp. 4125-4143
    • Denning, R.G.1
  • 23
    • 67149138165 scopus 로고    scopus 로고
    • The Sulfate Coordination of Np(IV), Np(V), and Np(VI) in Aqueous Solution
    • Hennig, C.; Ikeda-Ohno, A.; Tsushima, S.; Scheinost, A. C. The Sulfate Coordination of Np(IV), Np(V), and Np(VI) in Aqueous Solution. Inorg. Chem. 2009, 48, 5350-5360.
    • (2009) Inorg. Chem. , vol.48 , pp. 5350-5360
    • Hennig, C.1    Ikeda-Ohno, A.2    Tsushima, S.3    Scheinost, A.C.4
  • 24
    • 84962359227 scopus 로고    scopus 로고
    • Theoretical Study of the Structural Properties of Plutonium(IV) and (VI) Complexes
    • Odoh, S. O.; Schreckenbach, G. Theoretical Study of the Structural Properties of Plutonium(IV) and (VI) Complexes. J. Phys. Chem. A 2011, 115, 14110-14119.
    • (2011) J. Phys. Chem. A , vol.115 , pp. 14110-14119
    • Odoh, S.O.1    Schreckenbach, G.2
  • 25
    • 84962377222 scopus 로고    scopus 로고
    • n Clusters: Comparison Between Density Functional and Multi-Reference Theories
    • n Clusters: Comparison Between Density Functional and Multi-Reference Theories. Chem. Phys. Lett. 2012, 543, 193-198.
    • (2012) Chem. Phys. Lett. , vol.543 , pp. 193-198
    • Huang, P.1    Zavarin, M.2    Kersting, A.B.3
  • 26
    • 84862508283 scopus 로고    scopus 로고
    • Gas-Phase Uranyl, Neptunyl, and Plutonyl: Hydration and Oxidation Studied by Experiment and Theory
    • Rios, D.; Michelini, M. C.; Lucena, A. F.; Marc¸alo, J.; Bray, T. H.; Gibson, J. K. Gas-Phase Uranyl, Neptunyl, and Plutonyl: Hydration and Oxidation Studied by Experiment and Theory. Inorg. Chem. 2012, 51, 6603-6614.
    • (2012) Inorg. Chem. , vol.51 , pp. 6603-6614
    • Rios, D.1    Michelini, M.C.2    Lucena, A.F.3    Marc¸alo, J.4    Bray, T.H.5    Gibson, J.K.6
  • 27
    • 84885586979 scopus 로고    scopus 로고
    • Experimental and Theoretical Studies on the Fragmentation of Gas-Phase Uranyl-, Neptunyl-, and Plutonyl-Diglycolamide Complexes
    • Gong, Y.; Hu, H.-S.; Rao, L.; Li, J.; Gibson, J. K. Experimental and Theoretical Studies on the Fragmentation of Gas-Phase Uranyl-, Neptunyl-, and Plutonyl-Diglycolamide Complexes. J. Phys. Chem. A 2013, 117, 10544-10550.
    • (2013) J. Phys. Chem. A , vol.117 , pp. 10544-10550
    • Gong, Y.1    Hu, H.-S.2    Rao, L.3    Li, J.4    Gibson, J.K.5
  • 28
    • 84884529941 scopus 로고    scopus 로고
    • 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
  • 29
    • 84897781357 scopus 로고    scopus 로고
    • Extraction Complexes of Pu(IV) With Carbamoylmethylphosphine Oxide Ligands: A Relativistic Density Functional Study
    • Wang, C. Z.; Lan, J. H.; Feng, Y. X.; Wei, Y. Z.; Zhao, Y. L.; Chai, Z. F.; Shi, W. Q. Extraction Complexes of Pu(IV) With Carbamoylmethylphosphine Oxide Ligands: A Relativistic Density Functional Study. Radiochim. Acta 2014, 102, 77-86.
    • (2014) Radiochim. Acta , vol.102 , pp. 77-86
    • Wang, C.Z.1    Lan, J.H.2    Feng, Y.X.3    Wei, Y.Z.4    Zhao, Y.L.5    Chai, Z.F.6    Shi, W.Q.7
  • 30
    • 33748319446 scopus 로고    scopus 로고
    • 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
  • 31
  • 32
    • 79959209339 scopus 로고    scopus 로고
    • 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
  • 33
    • 84859126791 scopus 로고    scopus 로고
    • 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
  • 34
    • 84860538881 scopus 로고    scopus 로고
    • 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
  • 36
    • 84887909038 scopus 로고    scopus 로고
    • 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
  • 39
    • 4243553426 scopus 로고
    • 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
  • 40
    • 0345491105 scopus 로고
    • 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
  • 41
    • 80053295441 scopus 로고    scopus 로고
    • 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
  • 43
    • 84885126621 scopus 로고    scopus 로고
    • Complexation Behavior of Eu(III) and Am(III) with CMPO and Ph2CMPO Ligands: Insights from Density Functional Theory
    • Wang, C.-Z.; Shi, W.-Q.; Lan, J.-H.; Zhao, Y.-L.; Wei, Y.-Z.; Chai, Z.-F. Complexation Behavior of Eu(III) and Am(III) with CMPO and Ph2CMPO 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
  • 44
    • 36449007808 scopus 로고
    • 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
  • 45
    • 0037425675 scopus 로고    scopus 로고
    • Valence Basis sets for Relativistic Energy-Consistent Small-Core Actinide pseudopotentials
    • Cao, X.; Dolg, M.; Stoll, H. Valence Basis sets 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
  • 46
    • 1442299383 scopus 로고    scopus 로고
    • 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. (THEOCHEM) 2004, 673, 203-209.
    • (2004) J. Mol. Struct. (THEOCHEM) , vol.673 , pp. 203-209
    • Cao, X.1    Dolg, M.2
  • 47
    • 84866376708 scopus 로고    scopus 로고
    • Comparison of Different Theory Models and Basis Sets in Calculations of TPOP24N-Oxide Geometry and Geometries of meso-Tetraphenyl Chlorin N-Oxide Regioisomers
    • Choe, S. J. Comparison of Different Theory Models and Basis Sets in Calculations of TPOP24N-Oxide Geometry and Geometries of meso-Tetraphenyl Chlorin N-Oxide Regioisomers. Bull. Korean Chem. Soc. 2012, 33, 2861-2866.
    • (2012) Bull. Korean Chem. Soc. , vol.33 , pp. 2861-2866
    • Choe, S.J.1
  • 48
    • 0346219348 scopus 로고    scopus 로고
    • Basis set and method dependence of the relative energies Of C2S2H2 isomers
    • Vijay, D.; Priyakumar, U. D.; Sastry, G. N. Basis set and method dependence of the relative energies Of C2S2H2 isomers. Chem. Phys. Lett. 2004, 383, 192-197.
    • (2004) Chem. Phys. Lett. , vol.383 , pp. 192-197
    • Vijay, D.1    Priyakumar, U.D.2    Sastry, G.N.3
  • 49
    • 0011083499 scopus 로고
    • 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
  • 50
    • 84856215640 scopus 로고    scopus 로고
    • Multiwfn: A Multifunctional Wavefunction Analyzer
    • Lu, T.; Chen, F. Multiwfn: A Multifunctional Wavefunction Analyzer. J. Comput. Chem. 2012, 33, 580-592.
    • (2012) J. Comput. Chem. , vol.33 , pp. 580-592
    • Lu, T.1    Chen, F.2
  • 55
    • 84876025131 scopus 로고    scopus 로고
    • Uncovering f-element Bonding Differences and Electronic Structure in a Series of 1:3 and 1:4 Complexes with a Diselenophosphinate Ligand
    • Jones, M. B.; Gaunt, A. J.; Gordon, J. C.; Kaltsoyannis, N.; Neu, M. P.; Scott, B. L. Uncovering f-element Bonding Differences and Electronic Structure in a Series of 1:3 and 1:4 Complexes with a Diselenophosphinate Ligand. Chem. Sci. 2013, 4, 1189-1203.
    • (2013) Chem. Sci. , vol.4 , pp. 1189-1203
    • Jones, M.B.1    Gaunt, A.J.2    Gordon, J.C.3    Kaltsoyannis, N.4    Neu, M.P.5    Scott, B.L.6
  • 56
    • 84883505431 scopus 로고    scopus 로고
    • Do QTAIM Metrics Correlate with the Strength of Heavy Element-Ligand Bonds?
    • Mountain, A. R. E.; Kaltsoyannis, N. Do QTAIM Metrics Correlate with the Strength of Heavy Element-Ligand Bonds? Dalton Trans. 2013, 42, 13477-13486.
    • (2013) Dalton Trans. , vol.42 , pp. 13477-13486
    • Mountain, A.R.E.1    Kaltsoyannis, N.2
  • 57
    • 84899871556 scopus 로고    scopus 로고
    • Selectivity of Azine Ligands Toward Lanthanide(III)/Actinide(III) Differentiation: A Relativistic DFT Based Rationalization
    • Zaiter, A.; Amine, B.; Bouzidi, Y.; Belkhiri, L.; Boucekkine, A.; Ephritikhine, M. Selectivity of Azine Ligands Toward Lanthanide(III)/Actinide(III) Differentiation: A Relativistic DFT Based Rationalization. Inorg. Chem. 2014, 53, 4687.
    • (2014) Inorg. Chem. , vol.53 , pp. 4687
    • Zaiter, A.1    Amine, B.2    Bouzidi, Y.3    Belkhiri, L.4    Boucekkine, A.5    Ephritikhine, M.6
  • 58
    • 70349240342 scopus 로고    scopus 로고
    • Bond Paths Are Not Chemical Bonds
    • Bader, R. F. W. Bond Paths Are Not Chemical Bonds. J. Phys. Chem. A 2009, 113, 10391-10396.
    • (2009) J. Phys. Chem. A , vol.113 , pp. 10391-10396
    • Bader, R.F.W.1
  • 59
    • 0035935055 scopus 로고    scopus 로고
    • Bonding to Titanium
    • Bader, R. F. W.; Matta, C. F. Bonding to Titanium. Inorg. Chem. 2001, 40, 5603-5611.
    • (2001) Inorg. Chem. , vol.40 , pp. 5603-5611
    • Bader, R.F.W.1    Matta, C.F.2
  • 60
    • 0037159064 scopus 로고    scopus 로고
    • From Weak to Strong Interactions: A Comprehensive Analysis of the Topological and Energetic Properties of the Electron Density Distribution Involving X-H⋯F-Y Systems
    • Espinosa, E.; Alkorta, I.; Elguero, J.; Molins, E. From Weak to Strong Interactions: A Comprehensive Analysis of the Topological and Energetic Properties of the Electron Density Distribution Involving X-H⋯F-Y Systems. J. Chem. Phys. 2002, 117, 5529-5542.
    • (2002) J. Chem. Phys. , vol.117 , pp. 5529-5542
    • Espinosa, E.1    Alkorta, I.2    Elguero, J.3    Molins, E.4
  • 61
    • 84855830602 scopus 로고    scopus 로고
    • Electron Density Characteristics in Bond Critical Point (QTAIM) versus Interaction Energy Components (SAPT): The Case of Charge-Assisted Hydrogen Bonding
    • Bankiewicz, B.; Matczak, P.; Palusiak, M. Electron Density Characteristics in Bond Critical Point (QTAIM) versus Interaction Energy Components (SAPT): The Case of Charge-Assisted Hydrogen Bonding. J. Phys. Chem. A 2012, 116, 452-459.
    • (2012) J. Phys. Chem. A , vol.116 , pp. 452-459
    • Bankiewicz, B.1    Matczak, P.2    Palusiak, M.3
  • 62
    • 84873166646 scopus 로고    scopus 로고
    • Selectivity of Bis-triazinyl Bipyridine Ligands for Americium(iii) in Am/Eu Separation by Solvent Extraction. Part 1. Quantum Mechanical Study on the Structures of BTBP Complexes and on the Energy of the Separation
    • Narbutt, J.; Oziminski, W. P. Selectivity of Bis-triazinyl Bipyridine Ligands for Americium(iii) in Am/Eu Separation by Solvent Extraction. Part 1. Quantum Mechanical Study on the Structures of BTBP Complexes and on the Energy of the Separation. Dalton Trans. 2012, 41, 14416-14424.
    • (2012) Dalton Trans. , vol.41 , pp. 14416-14424
    • Narbutt, J.1    Oziminski, W.P.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.