Kinetics of low-temperature transitions and a reaction rate theory from non-equilibrium distributions
This article surveys the empirical information which originated both by laboratory
experiments and by computational simulations, and expands previous understanding of the …
experiments and by computational simulations, and expands previous understanding of the …
Beyond Boltzmann–Gibbs–Shannon in physics and elsewhere
C Tsallis - Entropy, 2019 - mdpi.com
The pillars of contemporary theoretical physics are classical mechanics, Maxwell
electromagnetism, relativity, quantum mechanics, and Boltzmann–Gibbs (BG) statistical …
electromagnetism, relativity, quantum mechanics, and Boltzmann–Gibbs (BG) statistical …
Atmospheric simulation chamber studies of the gas-phase photolysis of pyruvic acid
AE Reed Harris, M Cazaunau, A Gratien… - The Journal of …, 2017 - ACS Publications
Pyruvic acid is an atmospherically abundant α-keto-acid that degrades efficiently from the
troposphere via gas-phase photolysis. To explore conditions relevant to the environment, 2 …
troposphere via gas-phase photolysis. To explore conditions relevant to the environment, 2 …
Tropospheric Fate of Methylhydroxycarbene and the Ability of a Single Water Molecule to Efficiently Promote Its Isomerization into Acetaldehyde
S Mondal, S Sadhukhan, A Sinha… - Journal of the American …, 2024 - ACS Publications
The ultraviolet (UV) photodissociation of pyruvic acid through the absorption of solar actinic
flux generates methylhydroxycarbene (MHC) in the atmosphere. It is recognized that …
flux generates methylhydroxycarbene (MHC) in the atmosphere. It is recognized that …
Methanol Solvation Effect on the Proton Rearrangement of Curcumin's Enol Forms: An Ab Initio Molecular Dynamics and Electronic Structure Viewpoint
LG Santin, EM Toledo, VH Carvalho-Silva… - The Journal of …, 2016 - ACS Publications
The recognition of the solvent effect on the enol–enol tautomerism in curcumin can guide the
rationalization of systems of chemical and biological interest. Although the phenomenon is …
rationalization of systems of chemical and biological interest. Although the phenomenon is …
Description of deviations from Arrhenius behavior in chemical kinetics and materials science
The Arrhenius law has been used successfully to describe the temperature dependence for
a considerable number of rate processes in many areas of molecular science. In order to …
a considerable number of rate processes in many areas of molecular science. In order to …
Non-conservation of activation energy barriers in the same chemical process: a cooperative (effect) proton transfer on (HF)n molecular aggregates
The formation of (HF) n aggregates with n= 2, 3, 4, 5 and 6 and concerted proton transfer
processes in these aggregates were systematically analyzed. It was verified that, by a …
processes in these aggregates were systematically analyzed. It was verified that, by a …
[PDF][PDF] Chemical Kinetics under Extreme Conditions: Exact, Phenomenological and First-Principles Computational Approaches
NDCYS SILVA, D DE FAZIO, SCVH CARVALHO-SILVA… - media.accademiaxl.it
Modern experimental and theoretical advances in chemical kinetics are documenting an
ample spectrum of phenomena on reactions occurring under conditions relevant for …
ample spectrum of phenomena on reactions occurring under conditions relevant for …
Comportamento não-arrhenius no rearranjo do 1, 2-h metilclorocarbeno: tunelamento quântico vs canais reativos competitivos
YS de Sousa - 2018 - search.proquest.com
Devido sua composição estrutural, os carbenos são espécies altamente reativas. Com isso,
são frequentemente observados em reações químicas na forma de intermediários reativos …
são frequentemente observados em reações químicas na forma de intermediários reativos …
Efeitos sinérgicos da cooperatividade molecular na descrição da reatividade química
SFA Morais - 2017 - realp.unb.br
A possibilidade de investigação de reações em condições adversas tem revelado
propriedades exóticas de muitas reações, a priori, bem estabelecidas em química. Uma …
propriedades exóticas de muitas reações, a priori, bem estabelecidas em química. Uma …