ReactionDataExtractor: A Tool for Automated Extraction of Information from Chemical Reaction Schemes

2021 ◽  
Author(s):  
Damian M. Wilary ◽  
Jacqueline M. Cole
Keyword(s):  
Chemical Reaction ◽  
Automated Extraction ◽  
Reaction Schemes

Stoichiometric network analysis of spontaneous mirror symmetry breaking in chemical reactions

2017 ◽  
Vol 19 (27) ◽  
pp. 17618-17636 ◽  
Author(s):  
David Hochberg ◽  
Rubén D. Bourdon García ◽  
Jesús A. Ágreda Bastidas ◽  
Josep M. Ribó
Keyword(s):  
Network Analysis ◽  
Symmetry Breaking ◽  
Chemical Reactions ◽  
Chemical Reaction ◽  
Mirror Symmetry ◽  
Stoichiometric Network Analysis ◽  
Reaction Schemes

Stoichiometric network analysis (SNA) is used to study spontaneous mirror symmetry breaking in chemical reaction schemes.

Unveiling the role of intra and interatomic interactions in the energetics of reaction schemes: a quantum chemical topology analysis

2018 ◽  
Vol 20 (43) ◽  
pp. 27558-27570 ◽  
Author(s):  
Jesús Jara-Cortés ◽  
Bruno Landeros-Rivera ◽  
Jesús Hernández-Trujillo
Keyword(s):  
Chemical Reaction ◽  
Quantum Chemical ◽  
Topology Analysis ◽  
Chemical Topology ◽  
Quantum Chemical Topology ◽  
Interacting Quantum Atoms ◽  
Reaction Energies ◽  
Reaction Schemes

The interacting quantum atoms method provides an interpretative tool for chemical reaction energies in terms of physically meaningful atomic contributions.

REFINED: A Computer Code for Reacting Elliptic Flows in Expansion Domains

1995 ◽  
Author(s):  
M. Dong ◽  
D. G. Lilley
Keyword(s):  
Chemical Reaction ◽  
Computer Code ◽  
Velocity Profiles ◽  
Reacting Flow ◽  
Graphic Display ◽  
Inlet Flow ◽  
Inlet Velocity ◽  
Flow Parameters ◽  
General Computer ◽  
Reaction Schemes

Abstract REFINED (acronym for Reacting Elliptic Flows inExpansion Domains) is a general computer code that has been developed for turbulent swirling reacting flow predictions. A variety of user choices, such as inlet velocity profiles, inlet flow parameters, chemical reaction schemes from user-oriented accuracy and complexity requirements, and interaction with flowfield color graphic display utility are included. Development of the computer code is documented, with emphasis on the theory and application of the methodology.

Directional observation on lipid of male nectary of Lindera megaphylla hemsl. by the rapid embedding method with polyethylene glycol (PEG)

1990 ◽  
Vol 48 (3) ◽  
pp. 718-719
Author(s):  
Dai Dalin ◽  
Guo Jianmin
Keyword(s):  
Electron Microscope ◽  
Polyethylene Glycol ◽  
Chemical Reaction ◽  
Traditional Method ◽  
Osmium Tetroxide ◽  
Unsaturated Lipid ◽  
Embedding Method ◽  
Long Period ◽  
New Methods

Lipid cytochemistry has not yet advanced far at the EM level. A major problem has been the loss of lipid during dehydration and embedding. Although the adoption of glutaraldehyde and osmium tetroxide accelerate the chemical reaction of lipid and osmium tetroxide can react on the double bouds of unsaturated lipid to from the osmium black, osmium tetroxide can be reduced in saturated lipid and subsequently some of unsaturated lipid are lost during dehydration. In order to reduce the loss of lipid by traditional method, some researchers adopted a few new methods, such as the change of embedding procedure and the adoption of new embedding media, to solve the problem. In a sense, these new methods are effective. They, however, usually require a long period of preparation. In this paper, we do research on the fiora nectary strucure of lauraceae by the rapid-embedding method wwith PEG under electron microscope and attempt to find a better method to solve the problem mentioned above.

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