Crossref
journal-article
Elsevier BV
Microporous and Mesoporous Materials (78)
References
197
Referenced
46
10.1351/pac199466081739
/ Pure Appl. Chem. by Rouquerol (1994)10.1038/359710a0
/ Nature by Kresge (1992)10.1021/cr8002642
/ Chem. Rev. by Smit (2008)10.1146/annurev.ms.25.080195.001113
/ Annu. Rev. Mater. Sci. by Helmkamp (1995)10.1016/j.cocis.2005.09.012
/ Curr. Opin. Colloid Interf. Sci by Auerbach (2005)10.1039/b702516p
/ J. Mater. Chem. by Mellot-Draznieks (2007)10.1016/0008-6223(92)90139-N
/ Carbon by Kaneko (1992)10.1039/b805617j
/ Dalton Trans. by Robson (2008)10.1016/j.ccr.2006.02.013
/ Coord. Chem. Rev. by Robin (2006)10.1002/anie.200701404
/ Angew. Chem. Int. Edit. by Natarajan (2008)10.1021/ja00082a055
/ J. Am. Chem. Soc. by Fujita (1994)10.1038/378703a0
/ Nature by Yaghi (1995)10.1021/ja00151a034
/ J. Am. Chem. Soc. by Venkataraman (1995)10.1002/anie.199521271
/ Angew. Chem. Int. Edit. by Subramanian (1995)10.1039/a809746a
/ Chem. Commun. by Kepert (1999)10.1002/anie.199717251
/ Angew. Chem. Int. Edit. by Kondo (1997)10.1021/ja981669x
/ J. Am. Chem. Soc. by Li (1998)10.1126/science.1067208
/ Science by Eddaoudi (2002)10.1002/anie.200300610
/ Angew. Chem. Int. Edit. by Kitagawa (2004)10.1016/j.micromeso.2004.03.034
/ Micropor. Mesopor. Mater. by Rowsell (2004)10.1039/B618320B
/ Chem. Soc. Rev. by Ferey (2008)10.1021/ie800666s
/ Ind. Eng. Chem. Res. by Keskin (2008)10.1039/b803498m
/ Chem. Soc. Rev. by Düren (2009)10.1021/cr950253o
/ Chem. Rev. by Demontis (1997)10.1039/b600188m
/ Chem. Commun. by Liu (2006)10.1002/anie.200503778
/ Angew. Chem. Int. Edit. by Huang (2006)10.1073/pnas.0602439103
/ Proc. Natl. Acad. Sci. USA by Park (2006)10.1002/anie.200454250
/ Angew. Chem. Int. Edit. by Serre (2004)10.1126/science.1137975
/ Science by Serre (2007)10.1021/ja054900x
/ J. Am. Chem. Soc. by Mellot-Draznieks (2005)10.1021/ja803783c
/ J. Am. Chem. Soc. by Furukawa (2008)10.1002/anie.200351264
/ Angew. Chem. Int. Edit. by Hu (2003)10.1002/anie.200490025
/ Angew. Chem. Int. Edit. by Hu (2004)10.1021/ja0276974
/ J. Am. Chem. Soc. by Serre (2002)10.1002/1521-3773(20020118)41:2<281::AID-ANIE281>3.0.CO;2-Y
/ Angew. Chem. Int. Edit. by Barthelet (2002)10.1002/1521-3765(20020816)8:16<3586::AID-CHEM3586>3.0.CO;2-K
/ Chem. Eur. J. by Uemura (2002)10.1002/anie.200460712
/ Angew. Chem. Int. Edit. by Dybtsev (2004)10.1002/anie.200702390
/ Angew. Chem. Int. Edit. by Uemura (2007)10.1021/jp0749470
/ J. Phys. Chem. C by Jhon (2007)10.1021/ja803669w
/ J. Am. Chem. Soc. by Liu (2008)10.1021/ja077122c
/ J. Am. Chem. Soc. by Gould (2008)10.1002/anie.200705822
/ Angew. Chem. Int. Edit. by Tanaka (2008)10.1039/b811087e
/ Chem. Commun. by Kim (2008){'key': '10.1016/j.micromeso.2009.07.006_bib44', 'series-title': 'Introduction to Computational Chemistry', 'author': 'Jensen', 'year': '2006'}
/ Introduction to Computational Chemistry by Jensen (2006){'key': '10.1016/j.micromeso.2009.07.006_bib45', 'series-title': 'A Chemist’s Guide to Density Functional Theory', 'author': 'Koch', 'year': '2001'}
/ A Chemist’s Guide to Density Functional Theory by Koch (2001)10.1007/s11244-006-0003-z
/ Topics in Catalysis by Hafner (2006)10.1146/annurev.physchem.59.032607.093707
/ Annu. Rev. Phys. Chem. by Praprotnik (2008)10.1103/PhysRevLett.50.1285
/ Phys. Rev. Lett. by Daw (1983)10.1002/(SICI)1521-3951(200001)217:1<23::AID-PSSB23>3.0.CO;2-N
/ Phys. Status Solidi B by Brenner (2000)10.1021/jp004368u
/ J. Phys. Chem. A by van Duin (2001)10.1007/s10820-007-9073-x
/ J. Comput.-Aid. Mater. by Dudarev (2007)10.1016/j.commatsci.2005.10.011
/ Comput. Mater. Sci. by Zhu (2006)10.1016/S0010-8545(00)00296-4
/ Coord. Chem. Rev. by Norrby (2001)10.1021/ja00001a001
/ J. Am. Chem. Soc. by Allured (1991)10.1021/ja00051a040
/ J. Am. Chem. Soc. by Rappe (1992)10.1002/jcc.21057
/ J. Comput. Chem. by Hafner (2008){'key': '10.1016/j.micromeso.2009.07.006_bib57', 'series-title': 'Zeolites and Related Microporous Materials: State of the Art 1994', 'author': 'Sauer', 'year': '1994'}
/ Zeolites and Related Microporous Materials: State of the Art 1994 by Sauer (1994)10.1103/PhysRevB.76.184106
/ Phys. Rev. B by Bahr (2007)10.1103/PhysRevB.54.11169
/ Phys. Rev. B by Kresse (1996)- R. Stumpf, M. Allendorf, Personal communication.
10.1021/jp051202q
/ J. Phys. Chem. B by Mueller (2005)10.1016/j.chemphys.2005.06.003
/ Chem. Phys. by Mulder (2005)10.1002/jcc.20648
/ J. Comput. Chem. by Tafipolsky (2007)10.1103/PhysRevB.78.054114
/ Phys. Rev. B by Zhou (2008)10.1126/science.1113247
/ Science by Rowsell (2005)10.1002/anie.200700218
/ Angew. Chem. Int. Edit. by Dubbeldam (2007)10.1103/PhysRevB.74.180301
/ Phys. Rev. B by Zhou (2006)10.1103/PhysRevB.73.094111
/ Phys. Rev. B by Mattesini (2006)10.1021/jp072085x
/ J. Phys. Chem. B by Kuc (2007)10.1021/jp807487f
/ J. Phys. Chem. B by Tafipolsky (2009)10.1021/jp076853w
/ J. Phys. Chem. C by Greathouse (2008)10.1021/jp075389s
/ J. Phys. Chem. C by Han (2007)10.1039/B603150C
/ Cryst. Eng. Commun. by Civalleri (2006)10.1039/B603664C
/ J. Mater. Chem. by Hermes (2006)10.1021/ja056831s
/ J. Am. Chem. Soc. by Li (2006)10.1016/j.ijheatmasstransfer.2006.10.002
/ Int. J. Heat Mass Transfer by Huang (2007)10.1063/1.2037587
/ J. Chem. Phys. by Fuentes-Cabrera (2005)10.1021/ja8099079
/ J. Am. Chem. Soc. by Sillar (2009)10.1002/jcc.20078
/ J. Comput. Chem. by Grimme (2004)10.1002/jcc.20495
/ J. Comput. Chem. by Grimme (2006)10.1007/s00214-008-0439-2
/ Theor. Chem. Acc. by Kuc (2008)10.1002/chem.200800878
/ Chem. Eur. J. by Kuc (2008)10.1002/cphc.200800463
/ Chem. Phys. Chem. by Schmitz (2008)10.1021/jp0563538
/ J. Phys. Chem. B by Dailly (2006)10.1002/adfm.200500561
/ Adv. Funct. Mater. by Panella (2006)10.1021/ja051168t
/ J. Am. Chem. Soc. by Kaye (2005)10.1103/PhysRevB.77.224301
/ Phys. Rev. B by FitzGerald (2008)10.1016/j.chemphys.2008.03.034
/ Chem. Phys. by Mulder (2008)10.1103/PhysRevLett.95.215504
/ Phys. Rev. Lett. by Yildirim (2005)10.1103/PhysRevB.78.205432
/ Phys. Rev. B by Cabria (2008)10.1063/1.2337287
/ J. Chem. Phys. by Samanta (2006)10.1063/1.1809608
/ J. Chem. Phys. by Sagara (2004)10.1021/jp075420q
/ J. Phys. Chem. C by Klontzas (2007)10.1002/anie.200700303
/ Angew. Chem. Int. Edit. by Han (2007)10.1039/B608262A
/ Phys. Chem. Chem. Phys. by Tuma (2006)10.1021/jp0306949
/ J. Phys. Chem. B by Devi (2004)10.1103/PhysRevLett.95.146403
/ Phys. Rev. Lett. by Hamel (2005)10.1021/jp801681w
/ J. Phys. Chem. B by Baburin (2008)10.1016/0301-0104(95)00313-4
/ Chem. Phys. by Ermoshin (1996)10.1039/B613378A
/ Phys. Chem. Chem. Phys. by Ramsahye (2007)10.1021/jp801008d
/ J. Phys. Chem. C by Dalach (2008)10.1063/1.2997377
/ J. Chem. Phys. by Srepusharawoot (2008)10.1021/ja072599+
/ J. Am. Chem. Soc. by Han (2007)10.1002/anie.200801163
/ Angew. Chem. Int. Edit. by Dinca (2008)10.1021/jp071449i
/ J. Phys. Chem. C by Liu (2007)10.1016/j.cplett.2007.06.115
/ Chem. Phys. Lett. by Ueda (2007)10.1039/b601811d
/ J. Mater. Chem. by Kramer (2006)10.1002/ejic.200700302
/ Eur. J. Inorg. Chem. by Cho (2007)10.1007/s00214-006-0143-z
/ Theor. Chem. Acc. by Lin (2007)10.1021/ja807695p
/ J. Am. Chem. Soc. by Svelle (2009)10.1016/S0166-1280(03)00285-9
/ Theochem by Sherwood (2003)10.1021/jp0673617
/ J. Phys. Chem. B by Heyden (2007)10.1021/jp8021437
/ J. Phys. Chem. C by Choomwattana (2008)10.1016/j.chemphys.2008.02.039
/ Chem. Phys. by Pianwanit (2008)10.1590/S0103-50532008000200019
/ J. Brazil Chem. Soc. by Braga (2008)10.1021/ct8003035
/ J. Chem. Theory Comput. by Pedone (2008)10.1021/cm8001805
/ Chem. Mater. by Anedda (2008)10.1002/jcc.540070216
/ J. Comput. Chem. by Weiner (1986)10.1021/ja00124a002
/ J. Am. Chem. Soc. by Cornell (1995)10.1021/ja9621760
/ J. Am. Chem. Soc. by Jorgensen (1996)10.1016/S0166-1280(09)80008-0
/ Theochem by Allinger (1994)10.1021/jp972543+
/ J. Phys. Chem. B by Martin (1998)10.1021/j100161a070
/ J. Phys. Chem. by Rappe (1991)10.1021/ja00051a041
/ J. Am. Chem. Soc. by Casewit (1992)10.1021/ja00051a042
/ J. Am. Chem. Soc. by Casewit (1992)10.1021/ic00068a012
/ Inorg. Chem. by Rappe (1993)- Materials Studio, Accelrys Inc., San Diego, CA.
- Concerning the difficulty to implement the UFF forcefield we refer here to the comments by Martin and his UFF implementation in the TOWHEE GCMC code [197] which can be found at <http://towhee.sourceforge.net/forcefields/uff.html>.
10.1002/9780470143582.ch2
/ Adv. Chem. Phys. by Buckingham (1967)10.1126/science.1158006
/ Science by Stone (2008)10.1063/1.1740588
/ J. Chem. Phys. by Mulliken (1955)10.1016/S0065-3276(08)60339-1
/ Adv. Quantum Chem. by Lowdin (1970)10.1021/cr00088a005
/ Chem. Rev. by Reed (1988)10.1021/ct050190+
/ J. Chem. Theory Comput. by Stone (2005)10.1007/BF00549096
/ Theor. Chim. Acta by Hirshfeld (1977){'key': '10.1016/j.micromeso.2009.07.006_bib136', 'series-title': 'Atoms in Molecules', 'author': 'Bader', 'year': '1990'}
/ Atoms in Molecules by Bader (1990)10.1021/j100494a019
/ J. Phys. Chem. by Momany (1978)10.1002/jcc.540020312
/ J. Comput. Chem. by Cox (1981)10.1021/j100204a034
/ J. Phys. Chem. by Chipot (1992)10.1002/jcc.20419
/ J. Comput. Chem. by Whitten (2006)10.1021/ja00204a001
/ J. Am. Chem. Soc. by Ciowlowski (1989)10.1126/science.114.2973.670
/ Science by Sanderson (1951)10.1021/jp980574e
/ J. Phys. Chem. A by Astrand (1998)10.1002/qua.20981
/ Int. J. Quantum Chem. by Bruhn (2006)10.1002/jcc.20767
/ J. Comput. Chem. by Rafat (2007)10.1021/jp0003407
/ J. Phys. Chem. A by Kosov (2000)10.1107/S0108767306026298
/ Acta Crystallogr. A by Volkov (2006)10.1002/jcc.540110404
/ J. Comput. Chem. by Besler (1990)10.1002/jcc.540080616
/ J. Comput. Chem. by Chirlian (1987)10.1002/jcc.540110311
/ J. Comput. Chem. by Breneman (1990)10.1002/(SICI)1096-987X(199803)19:4<377::AID-JCC1>3.0.CO;2-P
/ J. Comput. Chem. by Sigfridsson (1998)10.1002/(SICI)1096-987X(19960115)17:1<1::AID-JCC1>3.0.CO;2-V
/ J. Comput. Chem. by Spackman (1996)10.1021/ct600295n
/ J. Chem. Theory Comput. by Hu (2007)10.1002/jcc.540141213
/ J. Comput. Chem. by Wiberg (1993)10.1002/qua.560520104
/ Int. J. Quantum Chem. by Angyan (1994)10.1002/jcc.20157
/ J. Comput. Chem. by Martin (2005)10.1002/jcc.10351
/ J. Comput. Chem. by Guerra (2004)10.1021/jp971202t
/ J. Phys. Chem. A by Winn (1997)10.1021/jp048142t
/ J. Phys. Chem. B by Heinz (2004)10.1021/j100142a004
/ J. Phys. Chem. by Bayly (1993)10.1002/jcc.10236
/ J. Comput. Chem. by Angyan (2003)10.1021/jp806363w
/ J. Phys. Chem. C by Castillo (2008)10.1126/science.283.5405.1148
/ Science by Chui (1999)10.1080/00268979609482401
/ Mol. Phys. by Jansen (1996)10.1021/jp047128d
/ J. Phys. Chem. B by Marcon (2004)10.1039/B414280M
/ New J. Chem. by Chipot (2005)10.1063/1.2814240
/ J. Chem. Phys. by Soderhjelm (2008)10.1016/0009-2614(94)87056-X
/ Chem. Phys. Lett. by Angyan (1994)10.1021/ct700270d
/ J. Chem. Theory Comput. by Welch (2008)10.1021/ct7001122
/ J. Chem. Theory Comput. by Soteras (2007)10.1080/00268970802158270
/ Mol. Phys. by Wheatley (2008)10.1021/jp027815+
/ J. Phys. Chem. B by Ren (2003)10.1021/jp027539z
/ J. Phys. Chem. B by Borodin (2003)10.1021/jp0301103
/ J. Phys. Chem. A by Kaminski (2004)10.1039/b703502k
/ Chem. Commun. by Horike (2007)10.1021/ja046925m
/ J. Am. Chem. Soc. by Matsuda (2004)10.1021/j100389a010
/ J. Phys. Chem. by Mayo (1990)10.1021/nl0341281
/ Nano Lett. by Vishnyakov (2003)10.1080/00268970310001654854
/ Mol. Phys. by Sarkisov (2004)10.1063/1.2133734
/ J. Chem. Phys. by Sagara (2005)10.1021/jp051771y
/ J. Phys. Chem. B by Skoulidas (2005)10.1021/jp051903n
/ J. Phys. Chem. B by Yang (2005){'key': '10.1016/j.micromeso.2009.07.006_bib183', 'series-title': 'Molecular Modeling of Inorganic Compounds', 'author': 'Comba', 'year': '2000'}
/ Molecular Modeling of Inorganic Compounds by Comba (2000)10.1002/anie.200803067
/ Angew. Chem. Int. Edit. by Salles (2008)10.1021/jp811190g
/ J. Phys. Chem. C by Salles (2009)10.1002/anie.200801748
/ Angew. Chem. Int. Edit. by Rosenbach (2008)10.1021/ja063506b
/ J. Am. Chem. Soc. by Greathouse (2006)10.1039/b807458p
/ Phys. Chem. Chem. Phys. by Schrock (2008)10.1021/jp809408x
/ J. Phys. Chem. C by Coombes (2009)10.1002/anie.200704247
/ Angew. Chem. Int. Edit. by Neumann (2008)10.1016/j.progsolidstchem.2005.11.047
/ Prog. Solid State Chem. by Mellot-Draznieks (2005)10.1016/0022-1139(94)00406-6
/ J. Fluorine Chem. by Férey (1995)10.1126/science.1116275
/ Science by Ferey (2005)10.1039/B614972C
/ Phys. Chem. Chem. Phys. by Woodley (2007)10.1021/ja804734g
/ J. Am. Chem. Soc. by Schmid (2008)10.1021/jp8061948
/ J. Phys. Chem. C by Amirjalayer (2008)10.1021/jp984742e
/ J. Phys. Chem. B by Martin (1999)
Dates
Type | When |
---|---|
Created | 16 years, 1 month ago (July 11, 2009, 12:57 a.m.) |
Deposited | 6 years, 3 months ago (May 21, 2019, 3:12 a.m.) |
Indexed | 1 year, 2 months ago (June 12, 2024, 6:33 a.m.) |
Issued | 15 years, 5 months ago (April 1, 2010) |
Published | 15 years, 5 months ago (April 1, 2010) |
Published Print | 15 years, 5 months ago (April 1, 2010) |
@article{Tafipolsky_2010, title={Atomistic theoretical models for nanoporous hybrid materials}, volume={129}, ISSN={1387-1811}, url={http://dx.doi.org/10.1016/j.micromeso.2009.07.006}, DOI={10.1016/j.micromeso.2009.07.006}, number={3}, journal={Microporous and Mesoporous Materials}, publisher={Elsevier BV}, author={Tafipolsky, Maxim and Amirjalayer, Saeed and Schmid, Rochus}, year={2010}, month=apr, pages={304–318} }