A special issue containing the Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces: held in Cracow, Poland, July 27 - 31, 1992
Gespeichert in:
| Körperschaft: | |
|---|---|
| Format: | Tagungsbericht Buch |
| Sprache: | Undetermined |
| Veröffentlicht: |
Amsterdam u.a.
Elsevier
1993
|
| Schriftenreihe: | Journal of molecular catalysis
82,2/3 |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | Literaturangaben. - Einzelaufnahme eines Zs.-Heftes |
| Beschreibung: | S. 113 - 469 graph. Darst. |
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Datensatz im Suchindex
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|---|---|
| adam_text | JOURNAL
OF MOLECULAR CATALYSIS VOL.
82
NOS.
2 3,
JUNE
29, 1993
Contents
A Special Issue containing the Proceedings of the Fourth International Symposium on
the Theoretical Approach to Catalysis at Interfaces held in Cracow, Poland, July
27-31,1992
Guest Editors: J.
Haber
and M.
Witko
Preface
...............................................................................................................................................113
Plenary Lectures
Density functional theory and quantum chemistry: metals and metal oxides
E.
Brocławik
and D.R. Salahub
............................................................................................117
Theoretical study of the reactivity of (PPh3)2Pt(^2-O2) with acids
P. Fantucci and S.
Lolli
.........................................................................................................131
Adsorption and reaction of molecules on surfaces of metal-metal oxide systems
H.-J.
Freund,
В.
Dillmann,
D.
Ehrlich,
M.
Haßel,
R.M. Jaeger,
H.
Kuhlenbeck,
CA. Ventrice
Jr.,
F. Winkelmann, S. Wohlrab,
С
Xu, Th.
Bertrams,
Α.
Brodde
and H. Neddermeyer..............................................................................................................143
Theoretical investigations on adsorption at ion crystal surfaces
K. Jug, G. Geudtner and T. Bredow
.....................................................................................171
Ligands on clusters
-
adsorbates on surfaces
M.
Moskovits
..........................................................................................................................195
Dipped adcluster model and SAC
-СІ
method applied to harpooning, chemiluminescence
and electron emission in halogen chemisorption on alkali metal surface
H. Nakatsuji, R. Kuwano, H. Morita and H. Nakai
...........................................................211
Embedded-cluster techniques for the quantum-mechanical study of surface reactivity
С
Pisani..................................................................................................................................
229
Quantum theory of scanning tunneling microscopy and spectroscopy and its application
to surface electronic processes
M. Tsukada, K. Kobayashi,
N.
Isshiki, S. Watanabe, H. Kageshima and
T. Schimizu
............................................................................................................................253
Theoretical studies in the realm of chemical reactivity: Noncatalytic and catalytic
reactions
R.
Zahradník
...........................................................................................................................265
New possibilities of NMR in mechanistic studies of homogeneous and heterogeneous
catalysis
K. Zamaraev
...........................................................................................................................275
Posters
Time conditions for chemical reactions at the mesoscopic level in the elementary catalytic
system
1
-butène on
ZnO
M.A. Borowiak and J.
Haber
................................................................................................327
Cluster models for Brensted acid centres in faujasites
E.
Brocławik,
J.
Datka and B. Gil
........................................................................................
347
Quantum chemical study of the reaction of ammonia with transient oxygen species
E.
Brocławik
and J.
Haber
....................................................................................................
353
Extension of the range of applications of classic-phenomenological laws to the field of
matter in a highly dispersed state
H.Müller
and
С
Opitz..........................................................................................................361
Qualitative charge stability and Fukui function analysis of a model system with
implications for chemical reactivity
R.F. Nalewajski
......................................................................................................................
371
Charge sensitivity analysis of oxide catalysts: oxidation-state dependence of the normal-
mode description of V2O5 surface clusters
R.F. Nalewajski and J. Korchowiec
.....................................................................................
S83
Charge sensitivity analysis of oxide catalysts: TiO2(110) and
(100)
surface model clusters
and H2O adsorption
R.F. Nalewajski, A.M.
Köster,
T.
Bredow and K. Jug
.......................................................407
Theoretical aspects of methane dissociation and hydroxylation on metal oxide diatomics
in the gas phase
M.-A.D. Stiakaki,
A.C.
Tsipis, C.A. Tsipis and C.E. Xanthopoulos
................................425
Molecular design of supported metal oxide catalysts: an initial step to theoretical models
I.E.
Wachs,
G.
Deo, M.A. Vuurman,
H. Hu,
D.S. Kim
and J.-M. Jehng
..........................443
Adsorption of toluene on vanadium pentoxide surfaces. Quantum chemical study
M.
Witko,
J. Haber and R.
Tokarz
.......................................................................................457
Novel hypothetical carbon modifications as host frameworks for dopants
K.
Vogel
and R. Nesper
.........................................................................................................467
Announcement
..................................................................................................................................469
Author index (Vol.82)
..................................................................................................................471
Subject index (Vol.82)
.................................................................................................................475
The scopes of the
Elsevier
publications Applied Catalysis and Journal of Molecular Catalysis
being complementary, the Editors wish to help the authors submit their papers to the appropri¬
ate place. The guidelines are as follows.
Papers dealing with the following subjects should be directed to Journal of Molecular Catalysis:
catalytic mechanism of reactions at the molecular level, in homogeneous, enzymatic and heter¬
ogeneous reactions; mechanistic studies on model heterogeneous catalysts; preparation of cat¬
alysts, when dealing with the intervention of organic or organometallic reactions (e.g. insolubil-
ized organometallic complexes and enzymes), new reactions in homogeneous and enzymatic
catalysis, even if the mechanism is not elucidated.
Papers dealing with the topics listed below should be directed to Applied Catalysis: reactions
of industrial interest; deactivation; chemical engineering; preparation of heterogeneous cata¬
lysts, when dealing with solid state chemistry and colloidal chemistry new heterogeneously
catalysed reactions of potential interest for applications
In the case of papers at the borderline, the Editors of Journal of Molecular Catalysis and Applied
Latalysis, in the frame of the coordination between the journals miqht be led to suggest to the
authors to which journal they could preferably submit their paper
|
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| spelling | International Symposium on the Theoretical Approach to Catalysis at Interfaces 4 1992 Krakau Verfasser (DE-588)5087221-7 aut A special issue containing the Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces held in Cracow, Poland, July 27 - 31, 1992 guest eds. J. Haber ... Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces Amsterdam u.a. Elsevier 1993 S. 113 - 469 graph. Darst. txt rdacontent n rdamedia nc rdacarrier Journal of molecular catalysis 82,2/3 Literaturangaben. - Einzelaufnahme eines Zs.-Heftes Oberflächenreaktion (DE-588)4140095-1 gnd rswk-swf Katalyse (DE-588)4029921-1 gnd rswk-swf Reaktionsmechanismus (DE-588)4177123-0 gnd rswk-swf Heterogene Katalyse (DE-588)4123377-3 gnd rswk-swf (DE-588)1071861417 Konferenzschrift 1992 Krakau gnd-content Katalyse (DE-588)4029921-1 s Oberflächenreaktion (DE-588)4140095-1 s DE-604 Heterogene Katalyse (DE-588)4123377-3 s Reaktionsmechanismus (DE-588)4177123-0 s Haber, J. Sonstige oth Digitalisierung TU Muenchen application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=005499593&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | A special issue containing the Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces held in Cracow, Poland, July 27 - 31, 1992 Oberflächenreaktion (DE-588)4140095-1 gnd Katalyse (DE-588)4029921-1 gnd Reaktionsmechanismus (DE-588)4177123-0 gnd Heterogene Katalyse (DE-588)4123377-3 gnd |
| subject_GND | (DE-588)4140095-1 (DE-588)4029921-1 (DE-588)4177123-0 (DE-588)4123377-3 (DE-588)1071861417 |
| title | A special issue containing the Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces held in Cracow, Poland, July 27 - 31, 1992 |
| title_alt | Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces |
| title_auth | A special issue containing the Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces held in Cracow, Poland, July 27 - 31, 1992 |
| title_exact_search | A special issue containing the Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces held in Cracow, Poland, July 27 - 31, 1992 |
| title_full | A special issue containing the Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces held in Cracow, Poland, July 27 - 31, 1992 guest eds. J. Haber ... |
| title_fullStr | A special issue containing the Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces held in Cracow, Poland, July 27 - 31, 1992 guest eds. J. Haber ... |
| title_full_unstemmed | A special issue containing the Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces held in Cracow, Poland, July 27 - 31, 1992 guest eds. J. Haber ... |
| title_short | A special issue containing the Proceedings of the fourth International Symposium on the Theoretical Approach to Catalysis at Interfaces |
| title_sort | a special issue containing the proceedings of the fourth international symposium on the theoretical approach to catalysis at interfaces held in cracow poland july 27 31 1992 |
| title_sub | held in Cracow, Poland, July 27 - 31, 1992 |
| topic | Oberflächenreaktion (DE-588)4140095-1 gnd Katalyse (DE-588)4029921-1 gnd Reaktionsmechanismus (DE-588)4177123-0 gnd Heterogene Katalyse (DE-588)4123377-3 gnd |
| topic_facet | Oberflächenreaktion Katalyse Reaktionsmechanismus Heterogene Katalyse Konferenzschrift 1992 Krakau |
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