(Q47206239)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19045097%20AND%20SRC:MED&resulttype=core&format=json

17 January 2020

title

A self-consistent Hubbard U density-functional theory approach to the addition-elimination reactions of hydrocarbons on bare FeO+ (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19045097%20AND%20SRC:MED&resulttype=core&format=json

17 January 2020

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19045097%20AND%20SRC:MED&resulttype=core&format=json

17 January 2020

1

Heather J Kulik

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19045097%20AND%20SRC:MED&resulttype=core&format=json

17 January 2020

language of work or name

English

0 references

publication date

1 October 2008

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19045097%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Physics

17 January 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19045097%20AND%20SRC:MED&resulttype=core&format=json

17 January 2020

volume

129

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19045097%20AND%20SRC:MED&resulttype=core&format=json

17 January 2020

issue

13

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19045097%20AND%20SRC:MED&resulttype=core&format=json

17 January 2020

page(s)

134314

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19045097%20AND%20SRC:MED&resulttype=core&format=json

Density functional theory in transition-metal chemistry: a self-consistent Hubbard U approach

17 January 2020

cites work

1 reference

Generalized Gradient Approximation Made Simple

21 January 2018

1 reference

Assessment of density functional theory methods for the computation of heats of formation and ionization potentials of systems containing third row transition metals.

21 January 2018

1 reference

Density functional theory and DFT+U study of transition metal porphines adsorbed on Au(111) surfaces and effects of applied electric fields

21 January 2018

1 reference

Comparative assessment of density functional methods for 3d transition-metal chemistry.

21 January 2018

1 reference

The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry

21 January 2018

1 reference

Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

21 January 2018

1 reference

Vibrational recognition of adsorption sites for CO on platinum and platinum-ruthenium surfaces.

21 January 2018

1 reference

Density Functional Theory in Transition-Metal Chemistry: Relative Energies of Low-Lying States of Iron Compounds and the Effect of Spatial Symmetry Breaking

21 January 2018

1 reference

The Effect of a Water Molecule on the Mechanism of Formation of Compound 0 in Horseradish Peroxidase

21 January 2018

1 reference

Methane-to-Methanol Conversion by First-Row Transition-Metal Oxide Ions: ScO+, TiO+, VO+, CrO+, MnO+, FeO+, CoO+, NiO+, and CuO+

21 January 2018

1 reference