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30
(5)
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Author
García Basallote, Manuel
(4)
Fernández-Trujillo Rey, María Jesús
(3)
García Algarra, Andrés
(3)
L. Gushchin, Artem
(2)
Pino-Chamorro, Jose Ángel
(2)
Aguinaco Martín, Almudena
(1)
Belda, Raquel
(1)
Bustelo, Emilio
(1)
Company, Anna
(1)
Costas, Miquel
(1)
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Subject
kinetics
(5)
density functional calculations
(3)
cluster compounds
(2)
reaction mechanisms
(2)
2,4,6-trichlorophenol
(1)
C S bond formation
(1)
TD-DFT
(1)
activation strain model
(1)
chlorophenols
(1)
cycloaddition
(1)
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2018
(5)
2015
(2)
2016
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2012
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Repository:
30
Year:
2018
Subject:
kinetics
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Title:
A detailed kinetic study of the direct photooxidation of 2,4,6-trichlorophenol
Author:
Pino-Chamorro, Jose Ángel
/
Ditrói, Tamás
/
Lente, Gábor
/
Fábián, István
Language:
Inglés
Repository:
30
Subject:
quantitative photochemistry
/
light intensity dependence
/
chlorophenols
/
temperature dependence
/
photochemical mechanism
/
kinetics
/
photodegradation
/
2,4,6-trichlorophenol
/
polychromatic light
/
mechanism of reaction
/
quantum yield
Acceder
Title:
A DFTand TD-DFTApproach to the Understanding of Statistical Kinetics in Substitution Reactions of M3Q4 (M=Mo, W; Q=S, Se) Cuboidal Clusters
Author:
García Algarra, Andrés
/
Fernández-Trujillo Rey, María Jesús
/
García Basallote, Manuel
Language:
Inglés
Repository:
30
Subject:
cluster compounds
/
density functional calculations
/
kinetics
/
statistical kinetics
/
TD-DFT
Acceder
Title:
On the Critical Effect of the Metal (Mo vs. W) on the [3++2] Cycloaddition Reaction of M3S4 Clusters with Alkynes: Insights from Experiment and Theory
Author:
Bustelo, Emilio
/
L. Gushchin, Artem
/
Fernández-Trujillo Rey, María Jesús
/
García Basallote, Manuel
/
García Algarra, Andrés
Language:
Inglés
Repository:
30
Subject:
cluster compounds
/
cycloaddition
/
density functional calculations
/
kinetics
/
reaction mechanisms
Acceder
Title:
Mechanism of [3+2] Cycloaddition of Alkynes to the [Mo₃S₄(acac)₃(py)₃][PF₆] Cluster
Author:
Pino-Chamorro, Jose Ángel
/
L. Gushchin, Artem
/
Fernández-Trujillo Rey, María Jesús
/
Hernández-Molina, Rita
/
Vicent, Cristian
/
García Algarra, Andrés
/
García Basallote, Manuel
Language:
Inglés
Repository:
30
Subject:
activation strain model
/
C S bond formation
/
density functional calculations
/
kinetics
/
reaction mechanisms
Acceder
Title:
Exceedingly Fast Oxygen Atom Transfer to Olefins via a Catalytically Competent Nonheme Iron Species
Author:
Serrano-Plana, Joan
/
Aguinaco Martín, Almudena
/
Belda, Raquel
/
García-España, Enrique
/
García Basallote, Manuel
/
Company, Anna
/
Costas, Miquel
Language:
Inglés
Repository:
30
Subject:
epoxidation
/
kinetics
/
nonheme iron complexes
/
olefins
/
oxidation
Acceder
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