Results 41 to 50 of about 8,164,077 (301)
Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry [PDF]
, 2014 While structures and reactivities of many small molecules can be computed efficiently and accurately using quantum chemical methods, heuristic approaches remain essential for modeling complex structures and large-scale chemical systems.
Rappoport, Dmitrij +3 more
core +1 more source
International chemical identifier for chemical reactions [PDF]
Journal of Cheminformatics, 2013 An open-access software for creating a unique, text-based identifier for reactions (RInChI) was developed by the Goodman group at the University of Cambridge, based on the IUPAC International Chemical Identifier (InChI) standard. RInChIs describe the substances (reactants, products, reagents and solvents) participating in a reaction with their ...
Grethe, Guenter +2 more
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Is EC class predictable from reaction mechanism? [PDF]
, 2012 We thank the Scottish Universities Life Sciences Alliance (SULSA) and the Scottish Overseas Research Student Awards Scheme of the Scottish Funding Council (SFC) for financial support.Background: We investigate the relationships between the EC (Enzyme ...
John BO Mitchell +5 more
core +1 more source
Rigorous Multicomponent Reactive Separations Modelling : Complete Consideration of Reaction-Diffusion Phenomena [PDF]
, 2010 This paper gives the first step of the development of a rigorous multicomponent reactive separation model. Such a model is highly essential to further the optimization of acid gases removal plants (CO2 capture, gas treating, etc.) in terms of size and ...
Ahmadi, Aras +20 more
core +1 more source
Molecules, 2021 CO2 adsorption in porous carbon materials has attracted great interests for alleviating emission of post-combustion CO2. In this work, a novel nitrogen-doped porous carbon material was fabricated by carbonizing the precursor of melamine-resorcinol ...
Like Ouyang +3 more
doaj +1 more source
Stationary Multiple Spots for Reaction-Diffusion Systems [PDF]
, 2007 In this paper, we review analytical methods for a rigorous study of the existence and stability of stationary, multiple spots for reaction-diffusion systems.
Winter, M +3 more
core +1 more source
DIFFUSIVE INSTABILITIES AND CHEMICAL REACTIONS [PDF]
International Journal of Bifurcation and Chaos, 2002 Diffusive instabilities provide the engine for an ever increasing number of dissipative structures. In this class autocatalytic chemical systems are prone to generate temporal and spatial self-organization phenomena. The development of open spatial reactors and the subsequent discovery in 1989 of the stationary reaction–diffusion patterns predicted by ...
Borckmans, Pierre +6 more
openaire +3 more sources
Information extraction from chemical patents [PDF]
, 2011 The automated extraction of semantic chemical data from the existing literature is demonstrated. For reasons of copyright, the work is focused on the patent literature, though the methods are expected to apply equally to other areas of the chemical ...
core +4 more sources
Molecular Evolutionary Growth of Ultralong Semiconducting Double‐Walled Carbon Nanotubes
Advanced Science, 2023 The self‐assembling preparation accompanied with template auto‐catalysis loop and the ability to gather energy, induces the appearance of chirality and entropy reduction in biotic systems.
Jun Gao +6 more
doaj +1 more source
Protein pyrophosphorylation by inositol pyrophosphates — detection, function, and regulation
FEBS Letters, EarlyView.Protein pyrophosphorylation is an unusual signaling mechanism that was discovered two decades ago. It can be driven by inositol pyrophosphate messengers and influences various cellular processes. Herein, we summarize the research progress and challenges of this field, covering pathways found to be regulated by this posttranslational modification as ...
Sarah Lampe +3 more
wiley +1 more source