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nonclassical carbonium-ions (32) 32
chemistry, physical (30) 30
high-silica zeolites (21) 21
zeolites (17) 17
catalytic transformations (15) 15
chemistry (12) 12
dehydrogenation (11) 11
ab-initio (10) 10
density-functional theory (10) 10
solid acids (9) 9
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analysis (7) 7
c-c bonds (7) 7
chemistry, applied (7) 7
engineering, chemical (7) 7
physical chemistry (7) 7
protolytic cracking (7) 7
transition-states (7) 7
adsorbed carbenium ions (6) 6
catalysis (6) 6
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exchange (6) 6
hydrocarbons (6) 6
hzsm-5 (6) 6
industrial chemistry/chemical engineering (6) 6
isobutane cracking (6) 6
methane (6) 6
paraffins (6) 6
pharmacy (6) 6
carbenium ions (5) 5
materials science, multidisciplinary (5) 5
mechanism (5) 5
zeolite (5) 5
carbocations (4) 4
carbonium ions (4) 4
ethane (4) 4
hartree-fock calculations (4) 4
n-hexane (4) 4
nanoscience & nanotechnology (4) 4
nonclassical carbonium (4) 4
norbornyl cation (4) 4
quantum chemistry (4) 4
research (4) 4
zeolite catalysts (4) 4
2-norbornyl cation (3) 3
activation (3) 3
aromatization (3) 3
bronsted acid sites (3) 3
cbs method (3) 3
characterization and evaluation of materials (3) 3
chemistry, organic (3) 3
classical carbenium ions (3) 3
conversion (3) 3
differentiation (3) 3
electrophilic reactions (3) 3
environmental sciences (3) 3
hydrogen-exchange (3) 3
in-situ nmr (3) 3
isomerization (3) 3
kinetics (3) 3
light alkanes (3) 3
oh-groups (3) 3
propane (3) 3
propane aromatization (3) 3
stable carbonium ions (3) 3
transition states (3) 3
y-zeolites (3) 3
02 petroleum (2) 2
ab initio (2) 2
ab-initio calculations (2) 2
acidic catalysts (2) 2
alkane (2) 2
alkenes (2) 2
aromatisierung (2) 2
benzene alkylation (2) 2
butane isomerization (2) 2
catalytic effects (2) 2
cations (2) 2
chemical properties (2) 2
cluster approach (2) 2
coupled reaction (2) 2
crystal-structure (2) 2
dehydrogenation reactions (2) 2
dimethyl ether formation (2) 2
functional theory calculations (2) 2
h-zsm-5 zeolite (2) 2
hydrocarbon cracking (2) 2
hydrogen (2) 2
hydrogen transfer (2) 2
hydrolysis (2) 2
inorganic chemistry (2) 2
investigations (2) 2
iron (2) 2
light olefins (2) 2
methanol (2) 2
molecular-orbital calculations (2) 2
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The Journal of Physical Chemistry C, ISSN 1932-7447, 05/2010, Volume 114, Issue 17, pp. 7850 - 7856
The effects of the zeolite framework on the mechanism of n-hexane monomolecular cracking have been investigated with M06-2X/6-311+G(2df,2p)//M06-2X/6-31G(d,p)... 
C: Surfaces, Interfaces, Catalysis | PROTOLYTIC CRACKING | MATERIALS SCIENCE, MULTIDISCIPLINARY | CONVERSION REACTIONS | NONCLASSICAL CARBONIUM-IONS | C-C BONDS | CHEMISTRY, PHYSICAL | FAUJASITE ZEOLITE | NANOSCIENCE & NANOTECHNOLOGY | MONOMOLECULAR CRACKING | H-ZSM-5 | ONIOM METHOD | CATALYTIC TRANSFORMATIONS | BENZENE ALKYLATION
Journal Article
The Journal of Organic Chemistry, ISSN 0022-3263, 02/2016, Volume 81, Issue 4, pp. 1410 - 1415
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 12/2015, Volume 119, Issue 52, pp. 28836 - 28853
Quantum mechanics/molecular mechanics (QM/MM) models are applied to investigate the adsorption and cracking of n-hexane on ZSM-5 and Faujasite zeolite... 
PROTOLYTIC CRACKING | CRYSTAL-STRUCTURE | MATERIALS SCIENCE, MULTIDISCIPLINARY | AB-INITIO | NONCLASSICAL CARBONIUM-IONS | C-C BONDS | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | MONOMOLECULAR CRACKING | LIGHT ALKANES | CATALYTIC TRANSFORMATIONS | N-HEXANE | DENSITY-FUNCTIONAL THEORY
Journal Article
Microporous and Mesoporous Materials, ISSN 1387-1811, 04/2013, Volume 170, pp. 318 - 330
Journal Article
ACS Catalysis, ISSN 2155-5435, 12/2012, Volume 2, Issue 12, pp. 2596 - 2601
Studies of cracking reactions of alkanes with three or more carbon atoms have been central to the development of our understanding of the catalytic action of... 
C-H bond | alkane | zeolite | C-C bond | methoxide | hydrogen transfer | cracking | PROTOLYTIC CRACKING | NONCLASSICAL CARBONIUM-IONS | CHEMISTRY, PHYSICAL | ENHANCED ACTIVITY SITES | TRANSITION-STATES | SOLID ACIDS | PROPANE AROMATIZATION | REACTION-MECHANISMS | ADSORBED CARBENIUM IONS | HYDROGEN-EXCHANGE | C-H
Journal Article
Catalysis Today, ISSN 0920-5861, 1999, Volume 51, Issue 3, pp. 419 - 434
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 12/2005, Volume 109, Issue 47, pp. 10734 - 10741
Journal Article
Applied Catalysis A, General, ISSN 0926-860X, 2007, Volume 328, Issue 2, pp. 163 - 173
Conversions of -hexane without methanol coupling (▵) and with methanol coupling (□) and ratio of coupled -C conversion and uncoupled -C conversion (●) versus... 
Coupled reaction | n-Hexane | Mechanism | ZSM-5 | Methanol | LIGHT OLEFINS | TO-HYDROCARBONS | n-hexane | SURFACE METHOXY | NONCLASSICAL CARBONIUM-IONS | DIMETHYL ETHER | CHEMISTRY, PHYSICAL | CATALYTIC CRACKING | ACIDIC CATALYSTS | ENVIRONMENTAL SCIENCES | coupled reaction | CHEMICAL IONIZATION | HYDROCARBON CRACKING | methanol | ZEOLITE CATALYSTS | mechanism | Investigations
Journal Article
Angewandte Chemie International Edition in English, ISSN 0570-0833, 07/1995, Volume 34, Issue 13‐14, pp. 1393 - 1405
Every generation of scientific men (i.e., scientists) starts where the previous generation left off, and the most advanced discoveries of one age constitute... 
Hydrocarbons | Carbocations | Reactive intermediates | Nobel lecture | 2-NORBORNYL CATION | NOBEL LECTURE | HYDROCARBONS | CARBOCATIONS | NONCLASSICAL CARBONIUM | REACTIVE INTERMEDIATES | NORBORNYL CATION | CLASSICAL CARBENIUM IONS | METHANE | ELECTROPHILIC REACTIONS | CHEMISTRY | DIFFERENTIATION | STABLE CARBONIUM IONS | SPECTRA
Journal Article
Journal of Catalysis, ISSN 0021-9517, 08/1997, Volume 170, Issue 1, pp. 1 - 10
Ab initioquantum chemical methods have been used to study themechanisms for the hydrocarbon conversion in zeolites (cracking,isomerisation, alkylation, etc.).... 
PROTOLYTIC CRACKING | DEHYDROGENATION | FUNCTIONAL THEORY CALCULATIONS | OH-GROUPS | HIGH-SILICA ZEOLITES | AB-INITIO | CATALYTIC TRANSFORMATIONS | NONCLASSICAL CARBONIUM-IONS | CHEMISTRY, PHYSICAL | PROTON | K EI CHEMISTRY, PHYSICAL | EXCHANGE | Zeolites | Analysis | Isomerization
Journal Article
Journal of Molecular Catalysis. A, Chemical, ISSN 1381-1169, 2005, Volume 229, Issue 1, pp. 77 - 85
Ab initio methods are used to study the transition state structures and activation energies of ethane cracking, hydrogen exchange, and dehydrogenation... 
Cluster approach | Zeolite | CBS method | Ethane | MODEL CHEMISTRY | NONCLASSICAL CARBONIUM-IONS | C-C BONDS | THEORETICAL PROCEDURES | CHEMISTRY, PHYSICAL | TRANSITION-STATES | zeolite | ethane | ABSTRACTION REACTIONS | HIGH-SILICA ZEOLITES | CATALYTIC TRANSFORMATIONS | DENSITY-FUNCTIONAL THEORY | cluster approach | ISOBUTANE CRACKING
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 03/2000, Volume 104, Issue 9, pp. 1944 - 1949
Protolytic cracking of ethane in zeolites has been investigated using quantum-chemical techniques and a cluster model of the zeolite acid site. An... 
CONVERSION | CATALYTIC TRANSFORMATIONS | NONCLASSICAL CARBONIUM-IONS | CHEMISTRY, PHYSICAL | MECHANISMS | PARAFFINS | HZSM-5 | HARTREE-FOCK | Catalysis | Research | Chemistry, Physical and theoretical | Zeolites | Catalytic cracking
Journal Article
Journal of Molecular Catalysis. A, Chemical, ISSN 1381-1169, 2006, Volume 246, Issue 1, pp. 1 - 10
Journal Article
Catalysis Reviews, ISSN 0161-4940, 11/2000, Volume 42, Issue 4, pp. 403 - 437
Ranking high in the current challenges of catalysis, direct transformations of lower saturated hydrocarbons (alkanes) have been investigated for a long time.... 
Aromatization | Application | Ethane | Mechanism | ZSM-5 | H-ZSM-5 ZEOLITE | RAY-ABSORPTION-SPECTROSCOPY | INTERMETALLIC HYDROGEN ACCEPTOR | NONCLASSICAL CARBONIUM-IONS | C-C BONDS | CHEMISTRY, PHYSICAL | aromatization | ethane | LIGHT ALKANES | application | HIGH-SILICA ZEOLITES | ZSM-5 ZEOLITES | CATALYTIC TRANSFORMATIONS | PROPANE AROMATIZATION | mechanism
Journal Article