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Quantum Indistinguishability in Chemical Reactions [PDF]

open access: yesProceedings of the National Academy of Sciences, 2017
Quantum indistinguishability plays a crucial role in many low-energy physical phenomena, from quantum fluids to molecular spectroscopy. It is, however, typically ignored in most high temperature processes, particularly for ionic coordinates, implicitly ...
Fisher, Matthew P. A., Radzihovsky, Leo
core   +10 more sources

On the sum of chemical reactions [PDF]

open access: yesEuropean Journal of Applied Mathematics, 2022
It is standard in chemistry to represent a sequence of reactions by a single overall reaction, often called a complex reaction in contrast to an elementary reaction. Photosynthesis$6 \text{CO}_2+6 \text{H}_2\text{O} \longrightarrow \text{C}_6\text{H}_{12}\text{O}_6 + 6 \text{O}_2$is an example of such complex reaction.
LINARD HOESSLY, CARSTEN WIUF, PANQIU XIA
openaire   +3 more sources

DNA as a universal substrate for chemical kinetics [PDF]

open access: yes, 2009
Molecular programming aims to systematically engineer molecular and chemical systems of autonomous function and ever-increasing complexity. A key goal is to develop embedded control circuitry within a chemical system to direct molecular events.
Andrianantoandro   +28 more
core   +2 more sources

Modeling and simulating chemical reactions [PDF]

open access: yes, 2007
Many students are familiar with the idea of modeling chemical reactions in terms of ordinary differential equations. However, these deterministic reaction rate equations are really a certain large-scale limit of a sequence of finer-scale probabilistic ...
Desmond J. Higham, Martínez-Urreaga J.
core   +3 more sources

Magnetic tuning of ultracold barrierless chemical reactions [PDF]

open access: yes, 2014
While attaining external field control of bimolecular chemical reactions has long been a coveted goal of physics and chemistry, the role of hyperfine interactions and dc magnetic fields in achieving such control has remained elusive.
Tscherbul, Timur V., Kłos, Jacek
core   +5 more sources

The reaction electronic flux in chemical reactions

open access: yesScience China Chemistry, 2011
The mechanism of a chemical reaction can be characterized in terms of chemical events that take place during the reaction. These events are bond weakening/breaking and/or bond strengthening/forming. The reaction electronic flux (REF), a concept that identifies and rationalizes the electronic activity taking place along the reaction coordinate, has ...
Cerón, María Luisa   +4 more
openaire   +9 more sources

Virtual chemical reactions for drug design [PDF]

open access: yes, 2009
Two methods for the fast, fragment-based combinatorial molecule assembly were developed. The software COLIBREE® (Combinatorial Library Breeding) generates candidate structures from scratch, based on stochastic optimization [1].
E Proschak   +8 more
core   +2 more sources

Negative differential response in chemical reactions [PDF]

open access: yes, 2018
Reaction currents in chemical networks usually increase when increasing their driving affinities. But far from equilibrium the opposite can also happen. We find that such negative differential response (NDR) occurs in reaction schemes of major biological
Cossetto, Tommaso   +3 more
core   +2 more sources

Asymptotology of chemical reaction networks [PDF]

open access: yesChemical Engineering Science, 2010
23 pages, 8 figures, 84 refs, Corrected Journal ...
Gorban, Alexander   +2 more
openaire   +8 more sources

Speeding chemical reactions by focusing [PDF]

open access: yesThe Journal of Chemical Physics, 2013
We present numerical results for a chemical reaction of colloidal particles which are transported by a laminar fluid and are focused by periodic obstacles in such a way that the two components are well mixed and consequently the chemical reaction is speeded up.
Lacasta Palacio, Ana María   +3 more
openaire   +6 more sources

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