Brønsted–Evans–Polanyi and Transition State Scaling Relations of Furan Derivatives on Pd(111) and Their Relation to Those of Small Molecules

ACS Catalysis ◽  
2014 ◽  
Vol 4 (2) ◽  
pp. 604-612 ◽  
Author(s):  
Shengguang Wang ◽  
Vassili Vorotnikov ◽  
Jonathan E. Sutton ◽  
Dionisios G. Vlachos
Keyword(s):  
Transition State ◽  
Small Molecules ◽  
Scaling Relations ◽  
Furan Derivatives

scholarly journals Shifting the scaling relations of single-atom catalysts for facile methane activation by tuning the coordination number

2021 ◽  
Author(s):  
Changhyeok Choi ◽  
Sungho Yoon ◽  
Yousung Jung
Keyword(s):  
Transition State ◽  
Coordination Number ◽  
Active Sites ◽  
Methane Activation ◽  
Single Atom ◽  
Scaling Relations ◽  
Scaling Relationship ◽  
Relationship Of

The scaling relationship of methane activation via a radical-like transition state shifts toward a more reactive region with decreasing coordination number of the active sites.

scholarly journals Correction: Hydrodeoxygenation of guaiacol over bimetallic Fe-alloyed (Ni, Pt) surfaces: reaction mechanism, transition-state scaling relations and descriptor for predicting C–O bond scission reactivity

2018 ◽  
Vol 8 (19) ◽  
pp. 5116-5116
Author(s):  
Xiaoyang Liu ◽  
Wei An ◽  
Yixing Wang ◽  
C. Heath Turner ◽  
Daniel E. Resasco
Keyword(s):  
Reaction Mechanism ◽  
Transition State ◽  
Scaling Relations ◽  
Bond Scission ◽  
Mechanism Transition

Correction for ‘Hydrodeoxygenation of guaiacol over bimetallic Fe-alloyed (Ni, Pt) surfaces: reaction mechanism, transition-state scaling relations and descriptor for predicting C–O bond scission reactivity’ by Xiaoyang Liu et al., Catal. Sci. Technol., 2018, 8, 2146–2158.

Examining the Linearity of Transition State Scaling Relations

2015 ◽  
Vol 119 (19) ◽  
pp. 10448-10453 ◽  
Author(s):  
Philipp N. Plessow ◽  
Frank Abild-Pedersen
Keyword(s):  
Transition State ◽  
Scaling Relations

General scaling relations and prediction of transition state energies in CHA/AlPO-34-structured zeolite catalysis related to the methanol-to-olefins conversion

2019 ◽  
Vol 9 (9) ◽  
pp. 2245-2252 ◽  
Author(s):  
Chuan-Ming Wang ◽  
Yang-Dong Wang ◽  
Zai-Ku Xie
Keyword(s):  
Transition State ◽  
Acid Strength ◽  
Scaling Relations ◽  
Zeolite Catalysis ◽  
Charge Variation ◽  
Fast Prediction

Scaling relations of transition state (TS) energies with the acid strength were established. The inherent scaling relations and the acidity sensitivity dependence on charge variation enable fast prediction of TS energies in zeolite catalysis.

Universal transition state scaling relations for (de)hydrogenation over transition metals

2011 ◽  
Vol 13 (46) ◽  
pp. 20760 ◽  
Author(s):  
S. Wang ◽  
V. Petzold ◽  
V. Tripkovic ◽  
J. Kleis ◽  
J. G. Howalt ◽  
...  
Keyword(s):  
Transition Metals ◽  
Transition State ◽  
Scaling Relations

Transition-state scaling relations in zeolite catalysis: influence of framework topology and acid-site reactivity

2015 ◽  
Vol 5 (5) ◽  
pp. 2814-2820 ◽  
Author(s):  
Chuan-Ming Wang ◽  
Rasmus Y. Brogaard ◽  
Zai-Ku Xie ◽  
Felix Studt
Keyword(s):  
Transition State ◽  
Acid Site ◽  
Dispersion Interaction ◽  
Scaling Relations ◽  
Ammonia Adsorption ◽  
Adsorption Enthalpy ◽  
Zeolite Catalysis ◽  
Methanol Reactions

Transition-state enthalpies in olefin–methanol reactions scale linearly with ammonia adsorption enthalpy as descriptor of acid site reactivity in zeolite catalysis. The slopes of these scaling relations vary with dispersion interaction with the framework.

Hydrodeoxygenation of guaiacol over bimetallic Fe-alloyed (Ni, Pt) surfaces: reaction mechanism, transition-state scaling relations and descriptor for predicting C–O bond scission reactivity

2018 ◽  
Vol 8 (8) ◽  
pp. 2146-2158 ◽  
Author(s):  
Xiaoyang Liu ◽  
Wei An ◽  
Yixing Wang ◽  
C. Heath Turner ◽  
Daniel E. Resasco
Keyword(s):  
Reaction Mechanism ◽  
Transition State ◽  
Bond Length ◽  
Metal Catalysts ◽  
Scaling Relations ◽  
Bond Scission ◽  
Mechanism Transition ◽  
Good Descriptor

Small means big: DFT-calculated C–O bond length of adsorbed intermediates can serve as a good descriptor for predicting the C–O bond scission reactivity of phenolics over metal catalysts.

Gap junctions in the prothoracic glands of the tobacco hornworm, Manduca sexta

1992 ◽  
Vol 50 (1) ◽  
pp. 706-707
Author(s):  
Ji-da Dai ◽  
M. Joseph Costello ◽  
Lawrence I. Gilbert
Keyword(s):  
Gap Junctions ◽  
Small Molecules ◽  
Manduca Sexta ◽  
Freeze Fracture ◽  
Cell Communication ◽  
Cellular Level ◽  
Thin Sections ◽  
Prothoracic Glands ◽  
Polyhydroxylated Steroids ◽  
Stimulation Of

Insect molting and metamorphosis are elicited by a class of polyhydroxylated steroids, ecdysteroids, that originate in the prothoracic glands (PGs). Prothoracicotropic hormone stimulation of steroidogenesis by the PGs at the cellular level involves both calcium and cAMP. Cell-to-cell communication mediated by gap junctions may play a key role in regulating signal transduction by controlling the transmission of small molecules and ions between adjacent cells. This is the first report of gap junctions in the PGs, the evidence obtained by means of SEM, thin sections and freeze-fracture replicas.

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