The influence of non-covalent interactions on the hydrogen peroxide electrochemistry on platinum in alkaline electrolytes

2012 ◽  
Vol 48 (53) ◽  
pp. 6660 ◽  
Author(s):  
Ioannis Katsounaros ◽  
Karl J. J. Mayrhofer
Keyword(s):  
Hydrogen Peroxide ◽  
Alkaline Electrolytes ◽  
Non Covalent Interactions ◽  
Covalent Interactions

scholarly journals The role of non-covalent interactions on CO bulk oxidation on Pt single crystal electrodes in alkaline electrolytes

2015 ◽  
Vol 152 ◽  
pp. 38-43 ◽  
Author(s):  
Kensaku Kodama ◽  
Yu Morimoto ◽  
Dusan S. Strmcnik ◽  
Nenad M. Markovic
Keyword(s):  
Single Crystal ◽  
Alkaline Electrolytes ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Supramolecular Fluorescent Nanoparticles Constructed via Multiple Non-Covalent Interactions for the Detection of Hydrogen Peroxide in Cancer Cells

2015 ◽  
Vol 21 (32) ◽  
pp. 11427-11434 ◽  
Author(s):  
Xuan Wei ◽  
Ruijiao Dong ◽  
Dali Wang ◽  
Tianyu Zhao ◽  
Yongsheng Gao ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Cancer Cells ◽  
Fluorescent Nanoparticles ◽  
Non Covalent Interactions ◽  
Covalent Interactions

NON COVALENT INTERACTIONS IN LARGE DIAMONDOID DIMERS IN THE GAS PHASE - A MICROWAVE STUDY

2017 ◽  
Author(s):  
Cristobal Perez ◽  
Melanie Schnell ◽  
Peter Schreiner ◽  
Norbert Mitzel ◽  
Yury Vishnevskiy ◽  
...  
Keyword(s):  
Gas Phase ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Vapour Pressure Isotope Effect on Evaporation from Pure Organic Phases - a PIMD Approach

2020 ◽  
Author(s):  
Luis Vasquez ◽  
Agnieszka Dybala-Defratyka
Keyword(s):  
Path Integral ◽  
Vapour Pressure ◽  
Density Functional ◽  
Isotope Effects ◽  
Tight Binding ◽  
Decomposition Analysis ◽  
Energy Decomposition Analysis ◽  
Special Importance ◽  
Non Covalent Interactions ◽  
Covalent Interactions

<p></p><p>Very often in order to understand physical and chemical processes taking place among several phases fractionation of naturally abundant isotopes is monitored. Its measurement can be accompanied by theoretical determination to provide a more insightful interpretation of observed phenomena. Predictions are challenging due to the complexity of the effects involved in fractionation such as solvent effects and non-covalent interactions governing the behavior of the system which results in the necessity of using large models of those systems. This is sometimes a bottleneck and limits the theoretical description to only a few methods.<br> In this work vapour pressure isotope effects on evaporation from various organic solvents (ethanol, bromobenzene, dibromomethane, and trichloromethane) in the pure phase are estimated by combining force field or self-consistent charge density-functional tight-binding (SCC-DFTB) atomistic simulations with path integral principle. Furthermore, the recently developed Suzuki-Chin path integral is tested. In general, isotope effects are predicted qualitatively for most of the cases, however, the distinction between position-specific isotope effects observed for ethanol was only reproduced by SCC-DFTB, which indicates the importance of using non-harmonic bond approximations.<br> Energy decomposition analysis performed using the symmetry-adapted perturbation theory (SAPT) revealed sometimes quite substantial differences in interaction energy depending on whether the studied system was treated classically or quantum mechanically. Those observed differences might be the source of different magnitudes of isotope effects predicted using these two different levels of theory which is of special importance for the systems governed by non-covalent interactions.</p><br><p></p>

Non-Covalent Interactions with Aromatic Rings: Current Understanding and Implications for Rational Drug Design

2013 ◽  
Vol 19 (36) ◽  
pp. 6522-6533 ◽  
Author(s):  
Shanshan Li ◽  
Yuan Xu ◽  
Qiancheng Shen ◽  
Xian Liu ◽  
Jing Lu ◽  
...  
Keyword(s):  
Drug Design ◽  
Rational Drug Design ◽  
Current Understanding ◽  
Aromatic Rings ◽  
Rational Drug ◽  
Non Covalent Interactions ◽  
Covalent Interactions

scholarly journals Heterogenisation of polyoxometalates and other metal-based complexes in metal–organic frameworks: from synthesis to characterisation and applications in catalysis

2021 ◽  
Author(s):  
P. Mialane ◽  
C. Mellot-Draznieks ◽  
P. Gairola ◽  
M. Duguet ◽  
Y. Benseghir ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Coordination Complexes ◽  
Metal Organic ◽  
Non Covalent Interactions ◽  
Molecular Catalysts ◽  
Covalent Interactions

This review provides a thorough overview of composites with molecular catalysts (polyoxometalates, or organometallic or coordination complexes) immobilised into MOFs via non-covalent interactions.

Magnetic imprinted nanoparticles with synergistic tailoring of covalent and non-covalent interactions for purification and detection of procyanidin B2

2021 ◽  
Vol 188 (1) ◽  
Author(s):  
Haipin Zhang ◽  
Huijia Song ◽  
Xuemeng Tian ◽  
Yue Wang ◽  
Yi Hao ◽  
...  
Keyword(s):  
Non Covalent Interactions ◽  
Covalent Interactions
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