(Q33494735)

27 July 2017

Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular species (English)

1 reference

27 July 2017

1 reference

James D Kubicki

1

0 references

author name string

Gary P Halada

series ordinal

2

1 reference

27 July 2017

Prashant Jha

series ordinal

3

1 reference

27 July 2017

Brian L Phillips

series ordinal

4

1 reference

27 July 2017

18 August 2009

1 reference

Chemistry Central Journal

27 July 2017

1 reference

27 July 2017

3

1 reference

27 July 2017

10

1 reference

Creative Commons Attribution 2.0 Generic

27 July 2017

start time

18 August 2009

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

exact match

https://scigraph.springernature.com/pub.10.1186/1752-153x-3-10

0 references

cites work

Comparative study of uranyl(VI) and -(V) carbonato complexes in an aqueous solution

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Uranium(VI) complexes with phospholipid model compounds--a laser spectroscopic study

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

c-Type cytochrome-dependent formation of U(IV) nanoparticles by Shewanella oneidensis

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Changes in uranium speciation through a depth sequence of contaminated Hanford sediments.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Standardization of chemical shifts of TMS and solvent signals in NMR solvents

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Complexation of the carbonate, nitrate, and acetate anions with the uranyl dication: density functional studies with relativistic effective core potentials.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

K(UO)Si2O6: a pentavalent-uranium silicate

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Bioreduction of uranium: environmental implications of a pentavalent intermediate

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Adsorption of aqueous uranyl complexes onto Bacillus subtilis cells

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Cryogenic laser induced fluorescence characterization of U(VI) in Hanford Vadose Zone pore waters

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Molecular basis of bacterial outer membrane permeability revisited

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

X-ray Absorption Spectroscopy of Tricarbonatodioxouranate(V), [UO(2)(CO(3))(3)](5)(-), in Aqueous Solution

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Computer simulation of the rough lipopolysaccharide membrane of Pseudomonas aeruginosa

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Aqueous uranium(VI) hydrolysis species characterized by attenuated total reflection Fourier-transform infrared spectroscopy

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Examining the performance of DFT methods in uranium chemistry: does core size matter for a pseudopotential?

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Model bacterial extracellular polysaccharide adsorption onto silica and alumina: quartz crystal microbalance with dissipation monitoring of dextran adsorption.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Quantifying constraints imposed by calcium and iron on bacterial reduction of uranium(VI).

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Determination of the Formation Constants of Ternary Complexes of Uranyl and Carbonate with Alkaline Earth Metals (Mg2+, Ca2+, Sr2+, and Ba2+) Using Anion Exchange Method

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Kinetics of uranium(VI) reduction by hydrogen sulfide in anoxic aqueous systems.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Predicting the energy of the water exchange reaction and free energy of solvation for the uranyl ion in aqueous solution.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Effect of aqueous acetic, oxalic, and carbonic acids on the adsorption of europium(III) onto alpha-alumina

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Correlation of observed and model vibrational frequencies for aqueous organic acids: UV resonance Raman spectra and molecular orbital calculations of benzoic, salicylic, and phthalic acids

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Structural and kinetic studies on uranyl(V) carbonate complex using 13C NMR spectroscopy

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Adhesion of bacterial exopolymers to alpha-FeOOH: inner-sphere complexation of phosphodiester groups

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Chelate effect and thermodynamics of metal complex formation in solution: a quantum chemical study

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Inhibition of bacterial U(VI) reduction by calcium

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

A theoretical study of the structure of tricarbonatodioxouranate

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Enzymically mediated bioprecipitation of uranium by a Citrobacter sp. : a concerted role for exocellular lipopolysaccharide and associated phosphatase in biomineral formation

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Biological reduction of uranium in groundwater and subsurface soil

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

Binding sites of sorbed uranyl ion in the cell wall of Mycobacterium smegmatis

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2739206

XAFS determination of the bacterial cell wall functional groups responsible for complexation of Cd and U as a function of pH

31 October 2018

1 reference

12 December 2020

Structure of the Aqua Ions and Fluoride Complexes of Uranium(IV) and Thorium(IV) in Aqueous Solution an EXAFS Study

1 reference

12 December 2020

Role of Solvation in the Reduction of the Uranyl Dication by Water: A Density Functional Study

1 reference

12 December 2020

Density and wave function analysis of actinide complexes: what can fuzzy atom, atoms-in-molecules, Mulliken, Lowdin, and natural population analysis tell us?

1 reference

12 December 2020

Determination of actinide speciation in solution using high-energy X-ray scattering

1 reference

12 December 2020

Comparative EXAFS investigation of uranium(VI) and -(IV) aquo chloro complexes in solution using a newly developed spectroelectrochemical cell

1 reference

12 December 2020

Density functional studies of actinyl aquo complexes studied using small-core effective core potentials and a scalar four-component relativistic method

1 reference

12 December 2020

A Raman spectroscopic study of the uranyl phosphate mineral threadgoldite

1 reference

12 December 2020

New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-zeta basis set 6-311+G(d,p)

1 reference

12 December 2020

Quantum chemical calculations of reduction potentials of AnO2(2+)/AnO2+ (An = U, Np, Pu, Am) and Fe3+/Fe2+ couples

1 reference

12 December 2020

Kinetics of triscarbonato uranyl reduction by aqueous ferrous iron: a theoretical study

1 reference

12 December 2020

Interactions of uranium with polyphosphate

1 reference

12 December 2020

Prediction of vibrational frequencies of UO2(2+) at the CCSD(T) level

1 reference

12 December 2020

Basis Set Convergence of Nuclear Magnetic Shielding Constants Calculated by Density Functional Methods

1 reference

12 December 2020

13C-CP-MAS-NMR studies of flavonoids. I. Solid-state conformation of quercetin, quercetin 5'-sulphonic acid and some simple polyphenols

1 reference

12 December 2020

Identifiers

DOI

10.1186/1752-153X-3-10

1 reference

Dimensions Publication ID

27 July 2017

1032526883

0 references

Fatcat ID

release_dgligpyb3ndzjpcyjlxzdpbs3m

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/dgligpyb3ndzjpcyjlxzdpbs3m

24 November 2022

mapped directly with Wikidata item

PMCID

2739206

1 reference

27 July 2017

1 reference