[HTML][HTML] The ONIOM method and its applications
The fields of theoretical and computational chemistry have come a long way since their
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …
31P NMR Chemical Shifts of Phosphorus Probes as Reliable and Practical Acidity Scales for Solid and Liquid Catalysts
A Zheng, SB Liu, F Deng - Chemical reviews, 2017 - ACS Publications
Acid–base catalytic reaction, either in heterogeneous or homogeneous systems, is one of
the most important chemical reactions that has provoked a wide variety of industrial catalytic …
the most important chemical reactions that has provoked a wide variety of industrial catalytic …
MWW and MFI frameworks as model layered zeolites: structures, transformations, properties, and activity
Porous solids containing internal pores with sizes ranging from angstroms to nanometers
are highly useful and valuable in the catalysis, separation, and storage of molecules …
are highly useful and valuable in the catalysis, separation, and storage of molecules …
Influence of aluminates on the hydration kinetics of tricalcium silicate
We used a combination of experimental and modelling techniques to study the effect of
NaAlO 2 on C 3 S hydration. pH sensitive inhibition of C 3 S hydration occurred at an early …
NaAlO 2 on C 3 S hydration. pH sensitive inhibition of C 3 S hydration occurred at an early …
Acid properties of solid acid catalysts characterized by solid-state 31P NMR of adsorbed phosphorous probe molecules
A Zheng, SJ Huang, SB Liu, F Deng - Physical Chemistry Chemical …, 2011 - pubs.rsc.org
A brief review is presented on acidity characterization of solid acid catalysts by means of
solid-state phosphor-31 magic-angle-spinning nuclear magnetic resonance (31P MAS …
solid-state phosphor-31 magic-angle-spinning nuclear magnetic resonance (31P MAS …
Regulation of framework aluminum siting and acid distribution in H-MCM-22 by boron incorporation and its effect on the catalytic performance in methanol to …
J Chen, T Liang, J Li, S Wang, Z Qin, P Wang… - ACS …, 2016 - ACS Publications
As the process of methanol to hydrocarbons (MTH) is catalyzed by acid sites, the regulation
of framework aluminum siting and acid distribution in a zeolite catalyst to enhance its …
of framework aluminum siting and acid distribution in a zeolite catalyst to enhance its …
One-pot synthesis of MWW zeolite nanosheets using a rationally designed organic structure-directing agent
A new material MIT-1 comprised of delaminated MWW zeolite nanosheets is made in a one-
pot synthesis using a rationally designed organic structure-directing agent (OSDA). The …
pot synthesis using a rationally designed organic structure-directing agent (OSDA). The …
Elucidation of quantitative effects of zeolitic pores in Mo-impregnated MWW type zeolites on catalytic activities and stabilities of methane dehydroaromatization …
The quantitative effects of the pores in Mo-impregnated zeolites on their catalytic activity and
stability during methane dehydroaromatization (MDA) were investigated. For this, MCM-22 …
stability during methane dehydroaromatization (MDA) were investigated. For this, MCM-22 …
Benchmark data for interactions in zeolite model complexes and their use for assessment and validation of electronic structure methods
We present benchmark binding energies for five zeolite model complexes, with four of the
adsorbates bound noncovalently and one covalently. The binding energies were …
adsorbates bound noncovalently and one covalently. The binding energies were …
Qualitative and quantitative analysis of acid properties for solid acids by solid-state nuclear magnetic resonance spectroscopy
Silica–alumina-based solid acid is one of the most popular heterogeneous catalysts utilized
in the petrochemical process and biorefining. The acid density, strength, and accessibility of …
in the petrochemical process and biorefining. The acid density, strength, and accessibility of …