-
1
-
-
77954858281
-
Ultrahigh Porosity in Metal-Organic Frameworks
-
Furukawa, H.; Ko, N.; Go, Y. B.; Aratani, N.; Choi, S. B.; Choi, E.; Yazaydin, A. O.; Snurr, R. Q.; O'Keeffe, M.; Kim, J. Ultrahigh Porosity in Metal-Organic Frameworks Science 2010, 329, 424-428
-
(2010)
Science
, vol.329
, pp. 424-428
-
-
Furukawa, H.1
Ko, N.2
Go, Y.B.3
Aratani, N.4
Choi, S.B.5
Choi, E.6
Yazaydin, A.O.7
Snurr, R.Q.8
O'Keeffe, M.9
Kim, J.10
-
2
-
-
23044451308
-
Strategies for Hydrogen Storage in Metal-Organic Frameworks
-
Rowsell, J. L. C.; Yaghi, O. M. Strategies for Hydrogen Storage in Metal-Organic Frameworks Angew. Chem., Int. Ed. 2005, 44, 4670-4679
-
(2005)
Angew. Chem., Int. Ed.
, vol.44
, pp. 4670-4679
-
-
Rowsell, J.L.C.1
Yaghi, O.M.2
-
3
-
-
53249142635
-
Hydrogen Storage in Microporous Metal-Organic Frameworks with Exposed Metal Sites
-
Dincǎ, M.; Long, J. R. Hydrogen Storage in Microporous Metal-Organic Frameworks with Exposed Metal Sites Angew. Chem., Int. Ed. 2008, 47, 6766-6779
-
(2008)
Angew. Chem., Int. Ed.
, vol.47
, pp. 6766-6779
-
-
Dincǎ, M.1
Long, J.R.2
-
4
-
-
67649588683
-
Storage of Hydrogen, Methane, and Carbon Dioxide in Highly Porous Covalent Organic Frameworks for Clean Energy Applications
-
Furukawa, H.; Yaghi, O. M. Storage of Hydrogen, Methane, and Carbon Dioxide in Highly Porous Covalent Organic Frameworks for Clean Energy Applications J. Am. Chem. Soc. 2009, 131, 8875-8883
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 8875-8883
-
-
Furukawa, H.1
Yaghi, O.M.2
-
5
-
-
65149084322
-
Hydrogen Storage in Metal-Organic Frameworks
-
Murray, L. J.; Dincǎ, M.; Long, J. R. Hydrogen Storage in Metal-Organic Frameworks Chem. Soc. Rev. 2009, 38, 1294-1314
-
(2009)
Chem. Soc. Rev.
, vol.38
, pp. 1294-1314
-
-
Murray, L.J.1
Dincǎ, M.2
Long, J.R.3
-
7
-
-
0042517640
-
Preparation, Clathration Ability, and Catalysis of a Two-Dimensional Square Network Material Composed of Cadmium(II) and 4,4′-Bipyridine
-
Fujita, M.; Kwon, Y. J.; Washizu, S.; Ogura, K. Preparation, Clathration Ability, and Catalysis of a Two-Dimensional Square Network Material Composed of Cadmium(II) and 4,4′-Bipyridine J. Am. Chem. Soc. 1994, 116, 1151-1152
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 1151-1152
-
-
Fujita, M.1
Kwon, Y.J.2
Washizu, S.3
Ogura, K.4
-
8
-
-
54249084031
-
Chirality-Controlled and Solvent-Templated Catenation Isomerism in Metal-Organic Frameworks
-
Ma, L.; Lin, W. Chirality-Controlled and Solvent-Templated Catenation Isomerism in Metal-Organic Frameworks J. Am. Chem. Soc. 2008, 130, 13834-13835
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 13834-13835
-
-
Ma, L.1
Lin, W.2
-
9
-
-
65349140088
-
Enantioselective Catalysis with Homochiral Metal-Organic Frameworks
-
Ma, L.; Abney, C.; Lin, W. Enantioselective Catalysis with Homochiral Metal-Organic Frameworks Chem. Soc. Rev. 2009, 38, 1248-1256
-
(2009)
Chem. Soc. Rev.
, vol.38
, pp. 1248-1256
-
-
Ma, L.1
Abney, C.2
Lin, W.3
-
10
-
-
84860337158
-
Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal-Organic Framework mmen-Mg2(dobpdc)
-
McDonald, T. M.; Lee, W. R.; Mason, J. A.; Wiers, B. M.; Hong, C. S.; Long, J. R. Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal-Organic Framework mmen-Mg2(dobpdc) J. Am. Chem. Soc. 2012, 134, 7056-7065
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 7056-7065
-
-
McDonald, T.M.1
Lee, W.R.2
Mason, J.A.3
Wiers, B.M.4
Hong, C.S.5
Long, J.R.6
-
11
-
-
80052806806
-
2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites
-
2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites J. Am. Chem. Soc. 2011, 133, 14814-14822
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 14814-14822
-
-
Bloch, E.D.1
Murray, L.J.2
Queen, W.L.3
Chavan, S.4
Maximoff, S.N.5
Bigi, J.P.6
Krishna, R.7
Peterson, V.K.8
Grandjean, F.9
Long, G.J.10
-
12
-
-
84859114412
-
Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites
-
Bloch, E. D.; Queen, W. L.; Krishna, R.; Zadrozny, J. M.; Brown, C. M.; Long, J. R. Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites Science 2012, 335, 1606-1610
-
(2012)
Science
, vol.335
, pp. 1606-1610
-
-
Bloch, E.D.1
Queen, W.L.2
Krishna, R.3
Zadrozny, J.M.4
Brown, C.M.5
Long, J.R.6
-
13
-
-
33845328066
-
A New Local Density Functional for Main-Group Thermochemistry, Transition Metal Bonding, Thermochemical Kinetics, and Noncovalent Interactions
-
Zhao, Y.; Truhlar, D. G. A New Local Density Functional for Main-Group Thermochemistry, Transition Metal Bonding, Thermochemical Kinetics, and Noncovalent Interactions J. Chem. Phys. 2006, 125, 194101/1-18
-
(2006)
J. Chem. Phys.
, vol.125
-
-
Zhao, Y.1
Truhlar, D.G.2
-
14
-
-
40549127108
-
Density Functionals with Broad Applicability in Chemistry
-
Zhao, Y.; Truhlar, D. G. Density Functionals with Broad Applicability in Chemistry Acc. Chem. Res. 2008, 41, 157-167
-
(2008)
Acc. Chem. Res.
, vol.41
, pp. 157-167
-
-
Zhao, Y.1
Truhlar, D.G.2
-
15
-
-
70450206724
-
-
Revision C.01; 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 C.01; Gaussian, Inc.: Wallingford, CT, 2010.
-
(2010)
Gaussian 09
-
-
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
-
16
-
-
26244461462
-
Balanced Basis Sets of Split Valence, Triple Zeta Valence and Quadruple Zeta Valence Quality for H to Rn: Design and Assessment of Accuracy
-
Weigend, F.; Ahlrichs, R. Balanced Basis Sets of Split Valence, Triple Zeta Valence and Quadruple Zeta Valence Quality for H to Rn: Design and Assessment of Accuracy Phys. Chem. Chem. Phys. 2005, 7, 3297-3305
-
(2005)
Phys. Chem. Chem. Phys.
, vol.7
, pp. 3297-3305
-
-
Weigend, F.1
Ahlrichs, R.2
-
17
-
-
56449099798
-
2 Adsorption in Isostructural Metal-Organic Frameworks with Open Metal Sites: Strong Dependence of the Binding Strength on Metal Ions
-
2 Adsorption in Isostructural Metal-Organic Frameworks with Open Metal Sites: Strong Dependence of the Binding Strength on Metal Ions J. Am. Chem. Soc. 2008, 130, 15268-15269
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 15268-15269
-
-
Zhou, W.1
Wu, H.2
Yildirim, T.3
-
20
-
-
0001553329
-
Bonded-Atom Fragments for Describing Molecular Charge Densities
-
Hirshfeld, F. L. Bonded-Atom Fragments for Describing Molecular Charge Densities Theor. Chim. Acta 1977, 44, 129-138
-
(1977)
Theor. Chim. Acta
, vol.44
, pp. 129-138
-
-
Hirshfeld, F.L.1
-
21
-
-
84857099445
-
Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases
-
Marenich, A. V.; Jerome, S. V.; Cramer, C. J.; Truhlar, D. G. Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases J. Chem. Theory Comput. 2012, 8, 527-541
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 527-541
-
-
Marenich, A.V.1
Jerome, S.V.2
Cramer, C.J.3
Truhlar, D.G.4
-
22
-
-
84908436964
-
-
rd ed. Lide, D. R. CRC Press: Boca Raton, FL, Chapter 9
-
rd ed.; Lide, D. R., Ed.; CRC Press: Boca Raton, FL, 2012; Chapter 9, p 49.
-
(2012)
CRC Handbook of Chemistry and Physics
, pp. 49
-
-
Mantina, M.1
Valero, R.2
Cramer, C.J.3
Truhlar, D.G.4
-
23
-
-
77951680464
-
A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu
-
Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu J. Chem. Phys. 2010, 132, 154104/1-19
-
(2010)
J. Chem. Phys.
, vol.132
-
-
Grimme, S.1
Antony, J.2
Ehrlich, S.3
Krieg, H.4
-
24
-
-
0001312393
-
Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes
-
Jeziorski, B.; Moszynski, R.; Szalewicz, K. Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes Chem. Rev. 1994, 94, 1887-1930
-
(1994)
Chem. Rev.
, vol.94
, pp. 1887-1930
-
-
Jeziorski, B.1
Moszynski, R.2
Szalewicz, K.3
-
25
-
-
77349102056
-
Extension of the Hartree-Fock Plus Dispersion Method by First-Order Correlation Effects
-
Podeszwa, R.; Pernal, K.; Patkowski, K.; Szalewicz, K. Extension of the Hartree-Fock Plus Dispersion Method by First-Order Correlation Effects J. Phys. Chem. Lett. 2010, 1, 550-555
-
(2010)
J. Phys. Chem. Lett.
, vol.1
, pp. 550-555
-
-
Podeszwa, R.1
Pernal, K.2
Patkowski, K.3
Szalewicz, K.4
-
26
-
-
84879435334
-
-
The parameters of the D3 damped dispersion terms are available at http://www.thch.uni-bonn.de/tc/downloads/DFT-D3/functionals.html.
-
-
-
-
27
-
-
79952981826
-
A Thorough Benchmark of Density Functional Methods for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions
-
Goerigk, L.; Grimme, S. A Thorough Benchmark of Density Functional Methods for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions Phys. Chem. Chem. Phys. 2011, 13, 6670-6688
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 6670-6688
-
-
Goerigk, L.1
Grimme, S.2
-
28
-
-
0346189340
-
New Generalized Gradient Approximation Functionals
-
Boese, A. D.; Doltsinis, N. L.; Handy, N. C.; Sprik, M. New Generalized Gradient Approximation Functionals J. Chem. Phys. 2000, 112, 1670-1678
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1670-1678
-
-
Boese, A.D.1
Doltsinis, N.L.2
Handy, N.C.3
Sprik, M.4
-
30
-
-
36749116113
-
Natural Bond Orbital Analysis of Near-Hartree-Fock Water Dimer
-
Reed, A. E.; Weinhold, F. Natural Bond Orbital Analysis of Near-Hartree-Fock Water Dimer J. Chem. Phys. 1983, 78, 4066-4073
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 4066-4073
-
-
Reed, A.E.1
Weinhold, F.2
-
31
-
-
36148995600
-
Natural-Population Analysis
-
Reed, A. E.; Weinstock, R. B.; Weinhold, F. Natural-Population Analysis J. Chem. Phys. 1985, 83, 735-746
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 735-746
-
-
Reed, A.E.1
Weinstock, R.B.2
Weinhold, F.3
-
32
-
-
36549103221
-
Natural Localized Molecular Orbitals
-
Reed, A. E.; Weinhold, F. Natural Localized Molecular Orbitals J. Chem. Phys. 1985, 83, 1736-1740
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 1736-1740
-
-
Reed, A.E.1
Weinhold, F.2
-
34
-
-
45449123708
-
Analysis of the Geometry of the Hydroxymethyl Radical by the Different Hybrids for Different Spins Natural Bond Orbital Procedure
-
Carpenter, J. E.; Weinhold, F. Analysis of the Geometry of the Hydroxymethyl Radical by the Different Hybrids for Different Spins Natural Bond Orbital Procedure J. Mol. Struct. (THEOCHEM) 1988, 46, 41
-
(1988)
J. Mol. Struct. (THEOCHEM)
, vol.46
, pp. 41
-
-
Carpenter, J.E.1
Weinhold, F.2
-
35
-
-
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
-
(1988)
Chem. Rev.
, vol.88
, pp. 899
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
36
-
-
0003658588
-
-
1 st ed. Naaman, R. Vager, Z. Springer: New York
-
Weinhold, F.; Carpenter, J. E. In The Structure of Small Molecules and Ions, 1 st ed.; Naaman, R.; Vager, Z., Ed.; Springer: New York, 1988; p 227. Biosciences
-
(1988)
The Structure of Small Molecules and Ions
, pp. 227
-
-
Weinhold, F.1
Carpenter, J.E.2
|