[HTML][HTML] The ONIOM method and its applications

LW Chung, WMC Sameera, R Ramozzi… - Chemical …, 2015 - ACS Publications
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 …

Brønsted acidity in metal–organic frameworks

J Jiang, OM Yaghi - Chemical reviews, 2015 - ACS Publications
The past 20 years have witnessed rapid development of reticular chemistry, 1, 2 which is
concerned with linking molecular building units with strong chemical bonds to form …

Probing zeolites by vibrational spectroscopies

S Bordiga, C Lamberti, F Bonino, A Travert… - Chemical Society …, 2015 - pubs.rsc.org
This review addresses the most relevant aspects of vibrational spectroscopies (IR, Raman
and INS) applied to zeolites and zeotype materials. Surface Brønsted and Lewis acidity and …

Mesoporous manganese oxides prepared by solution combustion synthesis as catalysts for the total oxidation of VOCs

M Piumetti, D Fino, N Russo - Applied Catalysis B: Environmental, 2015 - Elsevier
Three mesoporous manganese oxide catalysts (Mn 2 O 3, Mn 3 O 4 and Mn x O y) have
been prepared, by means of the solution combustion synthesis, and tested for the total …

Highly active and selective sites for propane dehydrogenation in zeolite Ga-BEA

L Ni, R Khare, R Bermejo-Deval, R Zhao… - Journal of the …, 2022 - ACS Publications
A highly selective Ga-modified zeolite BEA for propane dehydrogenation has been
synthesized by grafting Ga on Zn-BEA followed by removal of Zn in the presence of H2. A …

Silica surface features and their role in the adsorption of biomolecules: computational modeling and experiments

A Rimola, D Costa, M Sodupe, JF Lambert… - Chemical …, 2013 - ACS Publications
There are many reasons to report on silica interacting with biomolecules. The most obvious
one is that on the Earth's crust, oxygen and silicon are the most abundant atomic species …

Ketonization of carboxylic acids: mechanisms, catalysts, and implications for biomass conversion

TN Pham, T Sooknoi, SP Crossley, DE Resasco - Acs Catalysis, 2013 - ACS Publications
Ketonization is a reaction in which two carboxylic acids convert into a ketone, carbon
dioxide, and water. While this reaction once found its industrial application for acetone …

Catalytic oxidation of chlorinated volatile organic compounds over Mn-Ti composite oxides catalysts: Elucidating the influence of surface acidity

H Liu, X Li, Q Dai, H Zhao, G Chai, Y Guo, Y Guo… - Applied Catalysis B …, 2021 - Elsevier
A series of Mn-Ti composite oxides (Mn y Ti 1− y O x) were prepared via the sol-gel method,
and their reducibility and surface acidity were controlled by adjusting the Mn/Ti molar ratio …

[HTML][HTML] An in-situ IR study on the adsorption of CO2 and H2O on hydrotalcites

K Coenen, F Gallucci, B Mezari, E Hensen… - Journal of CO2 …, 2018 - Elsevier
In-situ IR technique was used to study the reversible adsorption of CO 2 and H 2 O at
elevated temperatures on a potassium-promoted hydrotalcite for its use in sorption …

Identification and characterization of surface hydroxyl groups by infrared spectroscopy

K Hadjiivanov - Advances in Catalysis, 2014 - Elsevier
Surface hydroxyl groups are active centers in many catalytic reactions and can play an
important role during catalyst preparation. In this chapter, the application of infrared …