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Ab Initio Molecular Dynamics Study of the Keto–Enol Tautomerism of Acetone in Solution
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Europe PubMed Central
PubMed publication ID
16683282
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
title
Ab initio molecular dynamics study of the keto-enol tautomerism of acetone in solution
(English)
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Europe PubMed Central
PubMed publication ID
16683282
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
author
Clotilde S. Cucinotta
series ordinal
1
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Europe PubMed Central
PubMed publication ID
16683282
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
Alice Ruini
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2
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Europe PubMed Central
PubMed publication ID
16683282
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
Alessandra Catellani
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3
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Europe PubMed Central
PubMed publication ID
16683282
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
author name string
András Stirling
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4
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Europe PubMed Central
PubMed publication ID
16683282
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
publication date
1 June 2006
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Europe PubMed Central
PubMed publication ID
16683282
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
published in
ChemPhysChem
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Europe PubMed Central
PubMed publication ID
16683282
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
volume
7
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Europe PubMed Central
PubMed publication ID
16683282
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
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21 January 2020
issue
6
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Europe PubMed Central
PubMed publication ID
16683282
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
page(s)
1229-1234
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Europe PubMed Central
PubMed publication ID
16683282
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
cites work
Formaldehyde oxime <--> nitrosomethane tautomerism
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Systematic study of the tautomerism of uracil induced by proton transfer. Exploration of water stabilization and mutagenicity
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
An adaptive umbrella sampling procedure in conformational analysis using molecular dynamics and its application to glycol
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Local elevation: a method for improving the searching properties of molecular dynamics simulation.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Azulene-to-naphthalene rearrangement: the Car-Parrinello metadynamics method explores various reaction mechanisms.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Microscopic Mechanism of Antibiotics Translocation through a Porin
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Proton transfer in heterocycle crystals
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Anisotropy of Earth's D″ layer and stacking faults in the MgSiO3 post-perovskite phase
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Predicting Crystal Structures: The Parrinello-Rahman Method Revisited
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
A new molecular-dynamics based approach for molecular crystal structure search
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Polyamorphism in Silicon Nanocrystals under Pressure
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Density-functional exchange-energy approximation with correct asymptotic behavior
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Towards an assessment of the accuracy of density functional theory for first principles simulations of water
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Assessing the Accuracy of Metadynamics†
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactions.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Creating a regular array of metal-complexing molecules on an insulator surface at room temperature
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
The Grotthuss mechanism
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Autoionization in liquid water
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Free energy profiles for H+ conduction along hydrogen-bonded chains of water molecules
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
QM/MM Car-Parrinello molecular dynamics study of the solvent effects on the ground state and on the first excited singlet state of acetone in water
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200600007
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Identifiers
DOI
10.1002/CPHC.200600007
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16683282
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
PubMed publication ID
16683282
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16683282
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16683282%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
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