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journal-article
American Chemical Society (ACS)
The Journal of Physical Chemistry C (316)
References
133
Referenced
163
{'key': 'jp7112363b00001/jp7112363b00001_1', 'volume-title': 'Hydrogen-Transfer Reactions', 'volume': '685', 'author': 'Sauer', 'year': '2006'}
/ Hydrogen-Transfer Reactions by Sauer (2006)10.1038/309589a0
/ Nature by Haag W. O. (1984)10.1021/je00022a011
/ J. Chem. Eng. Data by Berlier K. (1995)10.1021/cr00035a007
/ J. Chem. Rev. by Farneth W. E. (1995)10.1021/jp981836f
/ J. Phys. Chem. B by Savitz S. (1998)10.1007/978-3-662-03764-5
/ Catalysis and Zeolites Fundamentals and Applications by Weitkamp J. (1999)10.1021/jp002964i
/ J. Phys. Chem. B by Yang L. (2001){'key': 'jp7112363b00008/jp7112363b00008_1', 'volume-title': 'Handbook of Zeolite Science and Technology', 'author': 'Rozanska X.', 'year': '2003'}
/ Handbook of Zeolite Science and Technology by Rozanska X. (2003)10.1021/jp953405s
/ J. Phys. Chem. by Schroeder K.-P. (1996)10.1021/jp971779a
/ J. Phys. Chem. B by Eichler U. (1997)10.1039/a701492i
/ Faraday Discuss. by Sierka M. (1997)10.1021/jp990369e
/ J. Phys. Chem. B by Ferrari A. M. (1999)10.1021/jp993843p
/ J. Phys. Chem. B by Demuth T. H. J. (2000)10.1016/S0009-2614(01)01108-3
/ Chem. Phys. Lett. by Limtrakul J. (2001)10.1021/jp012377c
/ J. Phys. Chem. A by Khaliullin R. Z. (2001)10.1016/S1381-1169(01)00335-1
/ J. Mol. Catal. A by Yuan S. P. (2002)- Roesch, N.; Vayssilov, G. N.; Neyman, K. M. InHost-Guest-Systemsbased on Nanoporous Crystals; Laeri, F. Ed.; Wiley-VCH Verlag GmbH & Co. KGaA: Weinheim, Germany, 2003; p 339.
10.1002/qua.10706
/ Int. J. Quantum Chem. by Ketrat S. (2003)10.1021/jp026742r
/ J. Phys. Chem. B by Nasluzov V. A. (2003)10.1002/anie.200501002
/ Angew. Chem., Int. Ed. by Tuma C. (2004)10.1021/jp035673t
/ J. Phys. Chem. B by Simperler A. (2004)10.1016/j.jcat.2004.06.018
/ J. Catal. by Lo C. (2004)10.1016/j.cplett.2004.02.056
/ Chem. Phys. Lett. by Tuma C. (2004)10.1021/ct0501203
/ J. Chem. Theory Comput. by Fermann J. T. (2005)10.1021/ct049910n
/ J. Chem. Theory Comput. by Shor E. A. I. (2005)10.1021/jp0527249
/ J. Phys. Chem. B by Zheng A. (2005)10.1039/B608262A
/ Phys. Chem. Chem. Phys. by Tuma C. (2006)10.1016/j.micromeso.2005.11.037
/ Microporous Mesoporous Mater. by Vos A. M. (2006)10.1002/anie.200603136
/ Angew. Chem., Int. Ed. by Garcia-Perez E. (2007)10.1021/cr950253o
/ Chem. Rev. by Demontis P. (1997)10.1016/S0920-5861(98)00484-2
/ Catal. Today by Schwarz K. (1999)10.1016/S0009-2509(02)00580-8
/ Chem. Eng. Sci. by Smit B. (2003)10.1039/B614463M
/ Phys. Chem. Chem. Phys. by Bougeard D. (2006)10.1021/jp021646b
/ J. Phys. Chem. B by Rozanska X. (2003)10.1016/S0021-9517(03)00213-6
/ J. Catal. by Kasuriya S. (2003){'key': 'jp7112363b00036/jp7112363b00036_1', 'first-page': '108', 'author': 'Dubbeldam D.', 'year': '2004', 'journal-title': 'J. Phys. Chem. B'}
/ J. Phys. Chem. B by Dubbeldam D. (2004)- Roesch, N.; Nasluzov, V. A.; Neyman, K. M.; Pacchioni, G.; Vayssilov, G. N. InComputational Materials Science, Volume 15 (Theoretical andComputational Chemistry); Leszczynski, J. Ed.; Elsevier B. V. Amsterdam, 2004; p 367.
10.1021/ja0476056
/ J. Am. Chem. Soc. by Calero S. (2004)10.1080/00268970512331316021
/ J. Mol. Phys. by Jakobtorweihen S. (2005)10.1021/ci0500583
/ J. Chem. Inf. Model. by Tantanak D. (2005)10.1016/j.molcata.2006.04.060
/ J. Mol. Catal. A by Namuangruk S. (2006)10.1016/j.molcata.2006.04.062
/ J. Mol. Catal. A by Yuan S. (2006)10.1016/j.micromeso.2006.06.029
/ Microporous Mesoporous Mater. by Daems I. (2006)10.1021/jp064413j
/ J. Phys. Chem. B by Liu B. (2006)10.1039/b517774j
/ Phys. Chem. Chem. Phys. by Liu B. (2006)10.1016/j.molcata.2006.06.054
/ J. Mol. Catal. A by Jansang B. (2007)10.1021/jp9523231
/ J. Phys. Chem. by Blaszkowski S. R. (1996)10.1039/a806437g
/ Chem. Commun. by Sandre E. (1998)10.1039/a805616a
/ J. Chem. Soc., Faraday Trans. by Sinclair P. E. (1998)-
Saravanan, C.; Jousse, F.; Auerbach, S. M. InTransition State Modelingfor Catalysis; Truhlar, D. G., Morokuma, K., Eds.; ACS Symp. Ser. 721; American Chemical Society: Washington, D.C., 1999; p 296.
(
10.1021/bk-1999-0721.ch023
) 10.1021/bk-1999-0721.ch024
/ Transition State Modeling for Catalysis by Blaskowski S. R. (1999)-
Veda, Y.; Tsuruya, H.; Kanougi, T.; Oumi, Y.; Kubo, M.; Chatterjee, A.; Teraishi, K.; Broclawik, E.; Miyamoto, A. InTransition State Modeling forCatalysis; Truhlar, D. G., Morokuma, K., Eds.; ACS Symp. Ser. 721; American Chemical Society: Washington, D.C., 1999; p 321.
(
10.1021/bk-1999-0721.ch025
) -
Sandre, E.; Payne, M. C.; Gale, J. D. InTransition State Modeling forCatalysis; Truhlar, D. G., Morokuma, K., Eds.; ACS Symp. Ser. 721; American Chemical Society: Washington, D.C., 1999; p 346.
(
10.1021/bk-1999-0721.ch027
) - Sauer, J.; Sieka, M.; Haase, F. InTransition State Modeling forCatalysis; Truhlar, D. G., Morokuma, K., Eds.; ACS Symp. Ser. 721; American Chemical Society: Washington, D.C., 1999; p 358.
{'key': 'jp7112363b00055/jp7112363b00055_1', 'first-page': '1998', 'author': 'Chatterjee A.', 'year': '1998', 'journal-title': 'Appl. Surf. Sci.'}
/ Appl. Surf. Sci. by Chatterjee A. (1998)10.1002/1096-987X(200012)21:16<1470::AID-JCC5>3.0.CO;2-L
/ J. Comput. Chem. by Sauer J. (2000)10.1021/jp014015a
/ J. Phys. Chem. B by Vos A. M. (2002)10.1016/j.cplett.2004.06.009
/ Chem. Phys. Lett. by Silva A. M. (2004)10.1021/jp0371985
/ J. Phys. Chem. B by Tvelle S. (2004)10.1021/jp045531e
/ J. Phys. Chem. B by Solans-Monfort X. (2005)10.1016/j.jcat.2004.12.016
/ J. Catal. by Joshi Y. V. (2005)10.1016/j.jcat.2005.01.035
/ J. Catal. by Nieminen V. (2005)10.1021/jp045135w
/ J. Phys. Chem. B by Sirijaraensre J. (2005)10.1021/jp051919d
/ J. Phys. Chem. B by Solans-Monfort X. (2005)10.1021/jp056707v
/ J. Phys. Chem. A by Zheng X. (2006)10.1021/jp064762d
/ J. Phys. Chem. B by Mignon P. (2006)10.1021/jp065266s
/ J. Phys. Chem. B by Namuangruk S. (2006)10.1002/anie.200503824
/ Angew. Chem., Int. Ed. by Lesthaeghe D. (2006)10.1002/cphc.200600576
/ ChemPhysChem by Zheng A. (2007){'key': 'jp7112363b00070/jp7112363b00070_1', 'volume-title': 'ACS Symp. Ser. 712', 'author': 'Combined Quantum Mechanical', 'year': '1998'}
/ ACS Symp. Ser. 712 by Combined Quantum Mechanical (1998)10.1007/s00214-006-0143-z
/ Theor. Chem. Acc. by Lin H. (2007)10.1016/0021-9797(72)90012-4
/ J. Colloid. Interface Sci. by Bezus A. G. (1972)10.1002/aic.690410309
/ AIChE J. by Wang R. T. (1995)10.1016/S0144-2449(96)00067-X
/ Zeolites by Choudhary V. R. (1996)-
Triebe, R. W.; Tezel, F. H.; Khulbe, K. C.Gas Sep. Purif.1996,10, 81.
(
10.1016/0950-4214(95)00016-X
) 10.1021/ct6002884
/ J. Chem. Theory Comput. by Zhang Y. (2006)10.1016/S0009-2614(98)00866-5
/ Chem. Phys. Lett. by Truhlar D. G. (1998)10.1063/1.479659
/ J. Chem. Phys. by Fast P. L. (1999)10.1103/PhysRev.46.618
/ Phys. Rev. by Møller C. (1934)10.1063/1.453520
/ J. Chem. Phys. by Pople J. A. (1987)10.1016/B978-044451719-7/50085-8
/ Theory and Application of Computational Chemistry: The First 40 Years by Bartlett R. (2005)10.1063/1.456153
/ J. Chem. Phys. by Dunning T. H. (1989)10.1063/1.464303
/ J. Chem. Phys. by Woon D. E. (1993)10.1016/j.molcata.2004.11.009
/ J. Mol. Catal. A by Zheng X. (2005)10.1021/jp052571p
/ J. Phys. Chem. A by Zhao Y. (2005)10.1039/B600027D
/ Phys. Chem. Chem. Phys. by Jurecka P. (2006)10.1021/jp062740l
/ J. Phys. Chem A by Ringer A. L. (2006)10.1021/ct060044j
/ J. Chem. Theory Comput. by Zhao Y. (2006)-
Sanchez-Garcia, E.; Montero, L. A.; Sander, W.2006,110.
(
10.1021/jp0553636
) 10.1002/jcc.20570
/ J. Comput. Chem. by Jurecka P. (2007)10.1039/b612585a
/ Phys. Chem. Chem. Phys. by Antony J. (2006)10.1021/ct700072a
/ J. Chem. Theory Comput. by Morgado C. A. (2007){'key': 'jp7112363b00093/jp7112363b00093_1', 'volume-title': 'Gaussian 03, revision C.02', 'author': 'Frisch M. J.', 'year': '2004'}
/ Gaussian 03, revision C.02 by Frisch M. J. (2004)- Zhao, Y.; Truhlar, D. G.MN-GFM: Minnesota Gaussian FunctionalModule, Version 3.0; University of Minnesota: Minneapolis, MN, 2006.
{'key': 'jp7112363b00095/jp7112363b00095_1', 'volume-title': 'UK, 2002.', 'author': 'Werner H.-J.', 'year': '2002'}
/ UK, 2002. by Werner H.-J. (2002)10.1103/PhysRevA.38.3098
/ Phys. Rev. A by Becke A. D. (1988)10.1103/PhysRevB.37.785
/ Phys. Rev. B by Lee C. (1988)10.1021/j100096a001
/ J. Phys. Chem. by Stephens P. J. (1994)10.1063/1.478522
/ J. Chem. Phys. by Adamo C. (1999)10.1063/1.438955
/ J. Chem. Phys. by Krishnan R. (1980)10.1063/1.438980
/ J. Chem. Phys. by McLean A. D. (1980)10.1063/1.1677527
/ J. Chem. Phys. by Hehre W. J. (1972)10.1063/1.444267
/ J. Chem. Phys. by Francl M. M. (1982)10.1080/00268977000101561
/ Mol. Phys. by Boys S. F. (1970)10.1063/1.448335
/ J. Chem. Phys. by Schwenke D. W. (1985)10.1016/0039-6028(95)90043-8
/ Surf. Sci. by Mahmud S. (1995)10.1021/ct0502763
/ J. Chem. Theory Comput. by Zhao Y. (2006){'key': 'jp7112363b00108/jp7112363b00108_1', 'volume-title': 'press', 'author': 'Zhao Y.', 'year': '2008'}
/ press by Zhao Y. (2008)10.1016/0009-2614(96)00898-6
/ Chem. Phys. Lett. by Martin J. M. L. (1996)10.1103/PhysRevB.33.8822
/ Phys. Rev. B by Perdew J. P. (1986)10.1063/1.470829
/ J. Chem. Phys. by Becke A. D. (1996)10.1080/002689796173813
/ Mol. Phys. by Gill P. M. W. (1996)10.1103/PhysRevLett.77.3865
/ Phys. Rev. Lett by Perdew J. P. (1996){'key': 'jp7112363b00114/jp7112363b00114_1', 'first-page': '11', 'volume-title': "Electronic Structure of Solids '91", 'author': 'Perdew J.', 'year': '1991'}
/ Electronic Structure of Solids '91 by Perdew J. (1991)10.1063/1.475428
/ J. Chem. Phys. by Adamo C. (1998)10.1063/1.476438
/ J. Chem. Phys. by Schmider H. L. (1998)10.1063/1.476577
/ J. Chem. Phys. by Van Voorhis T. (1998)10.1063/1.477267
/ J. Chem. Phys. by Hamprecht F. A. (1998)10.1021/jp000497z
/ J. Phys. Chem. A by Lynch B. J. (2000)10.1080/00268970010018431
/ J. Mol. Phys. by Handy N. C. (2001)10.1063/1.1476309
/ J. Chem. Phys. by Boese A. D. (2002)10.1103/PhysRevLett.91.146401
/ Phys. Rev. Lett. by Tao J. (2003)10.1063/1.1626543
/ J. Chem. Phys. by Staroverov V. N. (2003)10.1073/pnas.0308730100
/ Proc. Natl. Acad. Sci. U.S.A. by Xu X. (2004)10.1021/jp049908s
/ J. Phys. Chem. A by Zhao Y. (2004)10.1063/1.1774975
/ J. Chem. Phys. by Boese A. D. (2004)10.1021/jp048147q
/ J. Phys. Chem. A by Zhao Y. (2004)10.1039/b416937a
/ Phys. Chem. Chem. Phys. by Zhao Y. (2005)10.1021/jp050536c
/ J. Phys. Chem. A by Zhao Y. (2005){'key': 'jp7112363b00130/jp7112363b00130_1', 'first-page': '1', 'volume': '123', 'author': 'Zhao Y.', 'year': '2005', 'journal-title': 'J. Chem. Phys.'}
/ J. Chem. Phys. by Zhao Y. (2005)10.1063/1.2370993
/ J. Chem. Phys. by Zhao Y. (2006)10.1021/jp066479k
/ J. Phys. Chem. A by Zhao Y. (2006)10.1063/1.464304
/ J. Chem. Phys. by Becke A. D. (1993)
Dates
Type | When |
---|---|
Created | 17 years, 4 months ago (April 9, 2008, 6 a.m.) |
Deposited | 3 years, 10 months ago (Oct. 17, 2021, 9:44 a.m.) |
Indexed | 4 weeks, 1 day ago (Aug. 5, 2025, 8:40 a.m.) |
Issued | 17 years, 4 months ago (April 9, 2008) |
Published | 17 years, 4 months ago (April 9, 2008) |
Published Online | 17 years, 4 months ago (April 9, 2008) |
Published Print | 17 years, 4 months ago (May 1, 2008) |
@article{Zhao_2008, title={Benchmark Data for Interactions in Zeolite Model Complexes and Their Use for Assessment and Validation of Electronic Structure Methods}, volume={112}, ISSN={1932-7455}, url={http://dx.doi.org/10.1021/jp7112363}, DOI={10.1021/jp7112363}, number={17}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Zhao, Yan and Truhlar, Donald G.}, year={2008}, month=apr, pages={6860–6868} }