-
1
-
-
77954971926
-
Flexibility of Ideal Zeolite Frameworks
-
Kapko, V.; Dawson, C.; Treacy, M. M. J.; Thorpe, M. F. Flexibility of Ideal Zeolite Frameworks Phys. Chem. Chem. Phys. 2010, 12, 8531-8541
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 8531-8541
-
-
Kapko, V.1
Dawson, C.2
Treacy, M.M.J.3
Thorpe, M.F.4
-
2
-
-
0001643652
-
Flexibility of the Zeolite RHO Framework: In Situ X-ray and Neutron Powder Structural Characterization of Divalent Cation-Exchanged Zeolite RHO
-
Corbin, D. R.; Abrams, L.; Jones, G. A.; Eddy, M. M.; Harrison, W. T. A.; Stucky, G. D.; Cox, D. E. Flexibility of the Zeolite RHO Framework: in Situ X-ray and Neutron Powder Structural Characterization of Divalent Cation-Exchanged Zeolite RHO J. Am. Chem. Soc. 1990, 112, 4821-4830
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 4821-4830
-
-
Corbin, D.R.1
Abrams, L.2
Jones, G.A.3
Eddy, M.M.4
Harrison, W.T.A.5
Stucky, G.D.6
Cox, D.E.7
-
3
-
-
0000426706
-
Structural Changes Occurring upon Dehydration of Zeolite Rho. A Study Using Neutron Powder Diffraction and Distance-Least-Squares Structural Modeling
-
Parise, J. B.; Cox, D. E. Structural Changes Occurring upon Dehydration of Zeolite Rho. A Study Using Neutron Powder Diffraction and Distance-Least-Squares Structural Modeling J. Phys. Chem. 1984, 88, 1635-1640
-
(1984)
J. Phys. Chem.
, vol.88
, pp. 1635-1640
-
-
Parise, J.B.1
Cox, D.E.2
-
4
-
-
0038944368
-
Flexibility of the Framework of Zeolite Rho. Structural Variation from 11 to 573 K. A Study Using Neutron Powder Diffraction Data
-
Parise, J. B.; Abrams, L.; E. Gier, T.; Corbin, D. R.; Jorgensen, J. D.; Prince, E. Flexibility of the Framework of Zeolite Rho. Structural Variation from 11 to 573 K. A Study Using Neutron Powder Diffraction Data J. Phys. Chem. 1984, 88, 2303-2307
-
(1984)
J. Phys. Chem.
, vol.88
, pp. 2303-2307
-
-
Parise, J.B.1
Abrams, L.2
Gier T, E.3
Corbin, D.R.4
Jorgensen, J.D.5
Prince, E.6
-
5
-
-
0034812885
-
Phase Transition of Zeolite RHO at High-Pressure
-
Lee, Y.; Hriljac, J. A.; Vogt, T.; Parise, J. B.; Edmondson, M. J.; Anderson, P. A.; Corbin, D. R.; Nagai, T. Phase Transition of Zeolite RHO at High-Pressure J. Am. Chem. Soc. 2001, 123, 8418-8419
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 8418-8419
-
-
Lee, Y.1
Hriljac, J.A.2
Vogt, T.3
Parise, J.B.4
Edmondson, M.J.5
Anderson, P.A.6
Corbin, D.R.7
Nagai, T.8
-
6
-
-
69549107647
-
Negative Thermal Expansion: A Review
-
Miller, W.; Smith, C. W.; Mackenzie, D. S.; Evans, K. E. Negative Thermal Expansion: a Review J. Mater. Sci. 2009, 44, 5441-5451
-
(2009)
J. Mater. Sci.
, vol.44
, pp. 5441-5451
-
-
Miller, W.1
Smith, C.W.2
MacKenzie, D.S.3
Evans, K.E.4
-
7
-
-
82555161653
-
Zeolite Rho: A Highly Selective Adsorbent for CO2/CH4 Separation Induced by a Structural Phase Modification
-
Palomino, M.; Corma, A.; Jorda, J. L.; Rey, F.; Valencia, S. Zeolite Rho: a Highly Selective Adsorbent for CO2/CH4 Separation Induced by a Structural Phase Modification Chem. Commun. 2012, 48, 215-217
-
(2012)
Chem. Commun.
, vol.48
, pp. 215-217
-
-
Palomino, M.1
Corma, A.2
Jorda, J.L.3
Rey, F.4
Valencia, S.5
-
8
-
-
0020787307
-
The Structure of Cesium-Exchanged Zeolite-RhO at 293K and 493K Determined from High Resolution Neutron Powder Data
-
Parise, J. B.; Prince, E. The Structure of Cesium-Exchanged Zeolite-RhO at 293K and 493K Determined from High Resolution Neutron Powder Data Mater. Res. Bull. 1983, 18, 841-852
-
(1983)
Mater. Res. Bull.
, vol.18
, pp. 841-852
-
-
Parise, J.B.1
Prince, E.2
-
9
-
-
0019707626
-
Polymorphic Transitions in Single Crystals: A New Molecular Dynamics Method
-
Parrinello, M.; Rahman, A. Polymorphic Transitions in Single Crystals: a New Molecular Dynamics Method J. Appl. Phys. 1981, 52, 7182-7190
-
(1981)
J. Appl. Phys.
, vol.52
, pp. 7182-7190
-
-
Parrinello, M.1
Rahman, A.2
-
10
-
-
36449003554
-
Constant Pressure Molecular Dynamics Algorithms
-
Martyna, G. L.; Tobias, D. J.; Klein, M. L. Constant Pressure Molecular Dynamics Algorithms J. Chem. Phys. 1994, 101, 4177
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4177
-
-
Martyna, G.L.1
Tobias, D.J.2
Klein, M.L.3
-
11
-
-
0035933983
-
Non-Hamiltonian Molecular Dynamics: Generalizing Hamiltonian Phase Space Principles to Non-Hamiltonian Systems
-
Tuckerman, M. E.; Liu, Y.; Ciccotti, G.; Martyna, G. J. Non-Hamiltonian Molecular Dynamics: Generalizing Hamiltonian Phase Space Principles to Non-Hamiltonian Systems J. Chem. Phys. 2001, 115, 1678-1702
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 1678-1702
-
-
Tuckerman, M.E.1
Liu, Y.2
Ciccotti, G.3
Martyna, G.J.4
-
12
-
-
33646236900
-
A Liouville-Operator Derived Measure-Preserving Integrator for Molecular Dynamics Simulations in the Isothermal-Isobaric Ensemble
-
Tuckerman, M. E.; Alejandre, J.; López-Rendón, R.; Jochim, A. L.; Martyna, G. J. A Liouville-Operator Derived Measure-Preserving Integrator for Molecular Dynamics Simulations in the Isothermal-Isobaric Ensemble J. Phys. A: Math. Gen. 2006, 39, 5629-5651
-
(2006)
J. Phys. A: Math. Gen.
, vol.39
, pp. 5629-5651
-
-
Tuckerman, M.E.1
Alejandre, J.2
López-Rendón, R.3
Jochim, A.L.4
Martyna, G.J.5
-
13
-
-
84988122931
-
An Algorithm for the Location of Transition States
-
Baker, J. An Algorithm for the Location of Transition States J. Comput. Chem. 1986, 7, 385-395
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 385-395
-
-
Baker, J.1
-
14
-
-
0001312521
-
Molecular Modeling of Zeolite Structure. 2. Structure and Dynamics of Silica Sodalite and Silicate Force Field
-
Nicholas, J. B.; Hopfinger, A. J.; Trouw, F. R.; Iton, L. E. Molecular Modeling of Zeolite Structure. 2. Structure and Dynamics of Silica Sodalite and Silicate Force Field J. Am. Chem. Soc. 1991, 113, 4792-4800
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 4792-4800
-
-
Nicholas, J.B.1
Hopfinger, A.J.2
Trouw, F.R.3
Iton, L.E.4
-
15
-
-
0028312793
-
Molecular Mechanics Potential for Silica and Zeolite Catalysts Based on Ab Initio Calculations. 1. Dense and Microporous Silica
-
Hill, J. R.; Sauer, J. Molecular Mechanics Potential for Silica and Zeolite Catalysts Based on Ab Initio Calculations. 1. Dense and Microporous Silica J. Phys. Chem. 1994, 98, 1238-1244
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 1238-1244
-
-
Hill, J.R.1
Sauer, J.2
-
16
-
-
33751156528
-
Molecular Mechanics Potential for Silica and Zeolite Catalysts Based on Ab Initio Calculations. 2. Aluminosilicates
-
Hill, J. R.; Sauer, J. Molecular Mechanics Potential for Silica and Zeolite Catalysts Based on Ab Initio Calculations. 2. Aluminosilicates J. Phys. Chem. 1995, 99, 9536-9550
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 9536-9550
-
-
Hill, J.R.1
Sauer, J.2
-
17
-
-
32644468949
-
Molecular Dynamics Studies on Zeolites. 3. Dehydrated Zeolite A
-
Demontis, P.; Suffritti, G. B.; Quartieri, S.; Fois, E. S.; Gamba, A. Molecular Dynamics Studies on Zeolites. 3. Dehydrated Zeolite A J. Phys. Chem. 1988, 92, 867-871
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 867-871
-
-
Demontis, P.1
Suffritti, G.B.2
Quartieri, S.3
Fois, E.S.4
Gamba, A.5
-
18
-
-
1642317624
-
Potential Functions for Silica and Zeolite Catalysts Based on Ab Initio Calculations. 3. A Shell Model Ion Pair Potential for Silica and Aluminosilicates
-
Schröder, K.-P.; Sauer, J. Potential Functions for Silica and Zeolite Catalysts Based on Ab Initio Calculations. 3. A Shell Model Ion Pair Potential for Silica and Aluminosilicates J. Phys. Chem. 1996, 100, 11043-11049
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 11043-11049
-
-
Schröder, K.-P.1
Sauer, J.2
-
19
-
-
84871025618
-
Zeolite Force Fields and Experimental Siliceous Frameworks in a Comparative Infrared Study
-
Bueno-Pérez, R.; Calero, S.; David, D.; Ania, C. O.; Parra, J. B.; Zaderenko, A. P.; Merkling, P. J. Zeolite Force Fields and Experimental Siliceous Frameworks in a Comparative Infrared Study J. Phys. Chem. C 2012, 116, 25797-25805
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 25797-25805
-
-
Bueno-Pérez, R.1
Calero, S.2
David, D.3
Ania, C.O.4
Parra, J.B.5
Zaderenko, A.P.6
Merkling, P.J.7
-
20
-
-
0034700181
-
Understanding Negative Thermal Expansion and 'Trap Door' Cation Relocations in Zeolite rho
-
Reisner, B. A.; Lee, Y.; Hanson, J. C.; Jones, G. A.; Parise, J. B.; Corbin, D. R.; Toby, B. H.; Freitag, A.; Larese, J. Z.; Kahlenberg, V. Understanding Negative Thermal Expansion and 'Trap Door' Cation Relocations in Zeolite rho Chem. Commun. 2000, 0, 2221-2222
-
(2000)
Chem. Commun.
, vol.0
, pp. 2221-2222
-
-
Reisner, B.A.1
Lee, Y.2
Hanson, J.C.3
Jones, G.A.4
Parise, J.B.5
Corbin, D.R.6
Toby, B.H.7
Freitag, A.8
Larese, J.Z.9
Kahlenberg, V.10
-
21
-
-
85033426203
-
The Effect of Extra Framework Species on the Intrinsic Negative Thermal Expansion Property of Zeolites with the LTA Topology
-
Carey, T.; Corma, A.; Rey, F.; Tang, C. C.; Hriljac, J. A.; Anderson, P. A. The Effect of Extra Framework Species on the Intrinsic Negative Thermal Expansion Property of Zeolites with the LTA Topology Chem. Commun. 2012, 48, 5829-5831
-
(2012)
Chem. Commun.
, vol.48
, pp. 5829-5831
-
-
Carey, T.1
Corma, A.2
Rey, F.3
Tang, C.C.4
Hriljac, J.A.5
Anderson, P.A.6
-
22
-
-
66149181567
-
Transferable Force Field for Carbon Dioxide Adsorption in Zeolites
-
García-Sánchez, A.; Ania, C. O.; Parra, J. B.; Dubbeldam, D.; Vlugt, T. J. H.; Krishna, R.; Calero, S. Transferable Force Field for Carbon Dioxide Adsorption in Zeolites J. Phys. Chem. C 2009, 113, 8814-8820
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 8814-8820
-
-
García-Sánchez, A.1
Ania, C.O.2
Parra, J.B.3
Dubbeldam, D.4
Vlugt, T.J.H.5
Krishna, R.6
Calero, S.7
-
23
-
-
0242341371
-
The General Utility Lattice Program (GULP)
-
Gale, J. D.; Rohl, A. L. The General Utility Lattice Program (GULP) Mol. Simul. 2003, 29, 291-341
-
(2003)
Mol. Simul.
, vol.29
, pp. 291-341
-
-
Gale, J.D.1
Rohl, A.L.2
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