journal article Apr 08, 1999

Cagelike Clusters as Models for the Isolated Hydroxyls of Silica:  Ab Initio B3-LYP Calculations of the Interaction with Ammonia

Langmuir Vol. 15 No. 18 pp. 5829-5835 · American Chemical Society (ACS)
View at Publisher Save 10.1021/la981300l
Topics

No keywords indexed for this article. Browse by subject →

References
49
[1]
Morrow B. A. J. Phys. Chem. (1992) 10.1021/j100182a068
[2]
Civalleri B. Chem. Phys. Lett. (1998) 10.1016/s0009-2614(98)00842-2
[3]
Knözinger H. The Netherlands (1976)
[4]
Hoffman P. Surf. Sci. (1987) 10.1016/s0039-6028(87)80150-4
[5]
Liu C. C. J. Am. Chem. Soc. (1996) 10.1021/ja951550d
[6]
Chuang I. S. J. Am. Chem. Soc. (1996) 10.1021/ja954120w
[7]
Fleischer U. J. Am. Chem. Soc. (1993) 10.1021/ja00070a032
[8]
Moravetski V. J. Am. Chem. Soc. (1996) 10.1021/ja962506g
[9]
Sauer J. Chem. Rev. (1994)
[10]
Civalleri B. J. Phys. Chem. B (1999) 10.1021/jp9829187
[11]
Civalleri B. J. Phys. Chem. B (1998) 10.1021/jp972281b
[12]
Ferrari A. M. J. Phys. Chem. (1993) 10.1021/j100113a031
[13]
Fubini B. Langmuir (1993) 10.1021/la00034a034
[14]
Senchenya I. Surf. Sci. (1998) 10.1016/s0039-6028(98)00379-3
[15]
Civalleri B. Chem. Phys. Lett. (1999) 10.1016/s0009-2614(98)01301-3
[16]
Voronkov M. G. Top. Curr. Chem. (1982) 10.1007/3-540-11345-2_12
[17]
Agaskar P. A. Inorg. Chim. Acta (1995) 10.1016/0020-1693(94)04266-x
[18]
Bornhauser P. J. Phys. Chem. (1996) 10.1021/jp952198t
[19]
Marcolli C. J. Phys. Chem. (1997) 10.1021/jp962742d
[20]
Sauer J. Chem. Phys. Lett. (1994) 10.1016/0009-2614(94)00002-6
[21]
Garofalini S. H. J. Phys. Chem. (1994) 10.1021/j100055a044
[22]
Devreux F. Phys. Rev. A (1990) 10.1103/physreva.41.6901
[23]
Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke

The Journal of Chemical Physics 1993 10.1063/1.464913
[24]
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr

Physical Review B 1988 10.1103/physrevb.37.785
[25]
Frisch M. J. (1995)
[26]
[27]
Woon D. E. J. Chem. Phys. (1994) 10.1063/1.466439
[29]
[30]
Ugliengo P. J. Phys. Chem. (1990) 10.1021/j100369a013
[31]
Senchenya I. N. J. Mol. Struct. (THEOCHEM) (1997) 10.1016/s0166-1280(96)90543-6
[32]
Garrone E. J. Phys. Chem. (1992) 10.1021/j100182a007
[33]
Lindberg B. J. Chem. Phys. (1988) 10.1063/1.453880
[34]
Ugliengo P. (1989)
[35]
Study of the Acid–Base Properties of Heterogeneous Catalysts by Infrared Spectroscopy

Evgenii A Paukshtis, E N Yurchenko

Russian Chemical Reviews 1983 10.1070/rc1983v052n03abeh002812
[36]
Ferrari A. M. Surf. Sci. (1995) 10.1016/0039-6028(94)00633-4
[37]
Tsiganenko A. A. Opt. Spectrosc. (1983)
[38]
Hertl W. Nature (1969) 10.1038/2231150a0
[39]
Gutmann V. (1978) 10.1007/978-1-4615-8825-2
[40]
Kristyan S. Chem. Phys. Lett. (1994) 10.1016/0009-2614(94)01027-7
[41]
Perez-Jorda J.-M. Chem. Phys. Lett. (1995) 10.1016/0009-2614(94)01402-h
[42]
Legon A. C. Chem. Soc. Rev. (1990) 10.1039/cs9901900197
[43]
Civalleri B. J. Mol. Struct. (THEOCHEM) (1997) 10.1016/s0166-1280(97)00249-2
[44]
Frash M. V. J. Phys. Chem. B (1997) 10.1021/jp9616223
[45]
Study of the Acid–Base Properties of Heterogeneous Catalysts by Infrared Spectroscopy

Evgenii A Paukshtis, E N Yurchenko

Russian Chemical Reviews 1983 10.1070/rc1983v052n03abeh002812
[46]
Hair M. L. J. Phys. Chem. (1970) 10.1021/j100696a016
[47]
Ugliengo P. J. Phys. Chem. (1996) 10.1021/jp951290m
[48]
Rao C. N. R. J. Chem. Soc., Faraday Trans. (1975)
[49]
Kustov L. M. Russ. J. Chem. Phys. (Khim. Fiz.) (1982)
Cited By
30
Metrics
30
Citations
49
References
Details
Published
Apr 08, 1999
Vol/Issue
15(18)
Pages
5829-5835
Cite This Article
B. Civalleri, E. Garrone, P. Ugliengo (1999). Cagelike Clusters as Models for the Isolated Hydroxyls of Silica:  Ab Initio B3-LYP Calculations of the Interaction with Ammonia. Langmuir, 15(18), 5829-5835. https://doi.org/10.1021/la981300l
Related

You May Also Like

Formation of Titanium Oxide Nanotube

Tomoko Kasuga, Masayoshi Hiramatsu · 1998

2,274 citations

Metal Oxide Nanoparticles as Bactericidal Agents

Peter K. Stoimenov, Rosalyn L. Klinger · 2002

1,561 citations