Insights into electroreductive dehalogenation mechanisms of chlorinated environmental pollutants
The electroreductive cleavage of carbon‐chloro bonds has attracted increasing attention
from both environmental and mechanistic points of view over the past decades, taking into …
from both environmental and mechanistic points of view over the past decades, taking into …
[HTML][HTML] Unusual thermal properties of graphene origami crease: A molecular dynamics study
Graphene is a two-dimensional material that can be folded into diverse and yet interesting
nanostructures like macro-scale paper origami. Folding of graphene not only makes different …
nanostructures like macro-scale paper origami. Folding of graphene not only makes different …
On/off switchable interfacial thermal resistance in graphene/fullerene/graphene heterostructures
Switchable thermal devices are attracting significant research interest as a basic thermal
management component. In this work, taking graphene/fullerene/graphene sandwiches as …
management component. In this work, taking graphene/fullerene/graphene sandwiches as …
Dissociative electron transfer in polychlorinated aromatics. Reduction potentials from convolution analysis and quantum chemical calculations
PP Romańczyk, G Rotko, SS Kurek - Physical Chemistry Chemical …, 2016 - pubs.rsc.org
Formal potentials of the first reduction leading to dechlorination in dimethylformamide were
obtained from convolution analysis of voltammetric data and confirmed by quantum …
obtained from convolution analysis of voltammetric data and confirmed by quantum …
Uncovering the intrinsic relationship of electrocatalysis and molecular electrochemistry for dissociative electron transfer to polychloroethanes at silver cathode
B Huang, Y Zhu, J Li, G Zeng, C Lei - Electrochimica Acta, 2017 - Elsevier
The relationship between electrocatalysis and molecular electrochemistry for the reductive
dechlorination of organic chlorides has been a central topic for decades. Herein, we try to …
dechlorination of organic chlorides has been a central topic for decades. Herein, we try to …
On the role of noncovalent interactions in electrocatalysis. Two cases of mediated reductive dehalogenation
Two cases of mediated electron transfer are presented: chloroform reduction catalysed by
Mo II/I alkoxy scorpionates and debromination of hexabromocyclododecane (HBCD) in the …
Mo II/I alkoxy scorpionates and debromination of hexabromocyclododecane (HBCD) in the …
The effect of C− H··· O bonding and Cl··· π interactions in electrocatalytic dehalogenation of C2 chlorides containing an acidic hydrogen
A tungsten alkoxy scorpionate shows activity in the electrocatalytic reductive dehalogenation
of pentachloroethane and trichloroethylene owing to the formation of hydrogen and halogen …
of pentachloroethane and trichloroethylene owing to the formation of hydrogen and halogen …
Molecular Electrochemistry of Coordination Compounds—A Correlation Between Quantum Chemical Calculations and Experiment
PP Romańczyk, SS Kurek - Transition Metals in Coordination …, 2019 - Springer
This contribution shows how molecular electrochemistry may benefit from the application of
DFT methods combined with implicit solvent models. The progress in quantum chemical …
DFT methods combined with implicit solvent models. The progress in quantum chemical …
Application of Metal–Organic Frameworks in CO2 Capture and Conversion
L Zhang, J Liu, CY Su - 2019 - books.rsc.org
Our environment and lives have been seriously influenced by anthropogenic CO2
emissions. The Intergovernmental Panel on Climate Change (IPCC) reported that the …
emissions. The Intergovernmental Panel on Climate Change (IPCC) reported that the …
[TXT][TXT] Dziękuję dr. hab. Piotrowi Romańczykowi bez którego eksperymentów nie miałbym z czym konfrontować wyników obliczeń oraz za stymulujące spotkania i …
K Noga - ruj.uj.edu.pl
Związki o mieszanej wartościowości są dobrymi modelami do badań nad zjawiskiem
transferu elektronu. W zależności od układu niesparowany elektron może być …
transferu elektronu. W zależności od układu niesparowany elektron może być …