Recent developments in the methods and applications of the bond valence model (Q42072806)

16 October 2017

1 reference

title

Recent developments in the methods and applications of the bond valence model (English)

1 reference

16 October 2017

Ian David Brown

1

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16 October 2017

1 December 2009

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16 October 2017

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16 October 2017

109

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16 October 2017

12

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16 October 2017

6858-6919

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Structural stability and formability of ABO3-type perovskite compounds.

16 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Novel approach to the concept of bond-valence vectors

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Nuclear magnetic resonance and ab initio studies of small complexes formed between water and pyridine derivatives in solid and liquid phases.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Electric double layer at metal oxide surfaces: static properties of the cassiterite-water interface.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Interaction of silicic acid with goethite.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

The mechanism of the protonation of metal (hydr)oxides in aqueous solutions studied for various interfacial/surface ionization models and physicochemical parameters: a critical review and a novel approach

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

NMR studies of solvent-assisted proton transfer in a biologically relevant Schiff base: toward a distinction of geometric and equilibrium H-bond isotope effects.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Factors affecting d-block metal-ligand bond lengths: toward an automated library of molecular geometry for metal complexes

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Interactions of phosphate groups of ATP and Aspartyl phosphate with the sarcoplasmic reticulum Ca2+-ATPase: an FTIR study

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Ion adsorption at the rutile-water interface: linking molecular and macroscopic properties.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

High-resolution crystallography and drug design

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Adsorption of organic matter at mineral/water interfaces: 3. Implications of surface dissolution for adsorption of oxalate.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

NMR parameters and geometries of OHN and ODN hydrogen bonds of pyridine-acid complexes.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Ultrahigh resolution drug design I: details of interactions in human aldose reductase-inhibitor complex at 0.66 A

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

The titration of clay minerals II. Structure-based model and implications for clay reactivity.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

On the Temperature Dependence of Intrinsic Surface Protonation Equilibrium Constants: An Extension of the Revised MUSIC Model.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

The geometry of metal-ligand interactions relevant to proteins. II. Angles at the metal atom, additional weak metal-donor interactions.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Long-range Coulomb forces and localized bonds

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Intrinsic Proton Affinity of Reactive Surface Groups of Metal (Hydr)oxides: The Bond Valence Principle

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

A bond-valence investigation of two series of isostructural lanthanide compounds.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

The arsenate Na3Fe2(AsO4) 3: structural study at low temperature and simulation of conduction properties of alkaline cations

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Nucleation and growth mechanism of ferroelectric domain-wall motion.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

[Atomic volume, packing density of the atoms, and chemical bonds in nonmetallic elements.]

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Influence of polyhedron distortions on calculated bond-valence sums for cations with one lone electron pair.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Cu3MgCl2(OH)6 and the bond-valence parameters of the OH-Cl bond.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

A new simplifying approach to molecular geometry description: the vectorial bond-valence model

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Bond-valence parameters of lanthanides.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Bond analyses of borates from the Inorganic Crystal Structure Database.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

On measuring the size of distortions in coordination polyhedra

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Estimation of polyhedral compressibilities and structural evolution of GdFeO3-type perovskites at high pressures.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Experimental versus expected halide-ion size differences; structural changes in three series of isotypic bismuth chalcogenide halides

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

"Ionic" size differences from bond-valence parameters and from ionic radii

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

FTIR studies on the bond properties of the aspartyl phosphate moiety of the Ca2+ -ATPase

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Examining the out-of-center distortion in the [NbOF5]2- anion

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

P-O bond destabilization accelerates phosphoenzyme hydrolysis of sarcoplasmic reticulum Ca2+ -ATPase

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Surface complexation of carbonate on goethite: IR spectroscopy, structure and charge distribution.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

New view of the high-pressure behaviour of GdFeO(3)-type perovskites

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Two-dimensionally modulated structure of the rare-earth polysulfide GdS(2-x) (x = 0.18 approximately equal to 13/72).

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Stability of a flexible polar ionic crystal surface: metastable alumina and one-dimensional surface metallicity.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

20 A Cd4In16S35(14-) supertetrahedral T4 clusters as building units in decorated cristobalite frameworks.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Vibrational structure of GDP and GTP bound to RAS: an isotope-edited FTIR study

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Determination of covalent bond orders and atomic valence indices using topological features of the experimental electron density

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Antifluorite-Type Lithium Chromium Oxide Nitrides: Synthesis, Structure, Order, and Electrochemical Properties

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Mixed Alkali Effect in Glasses

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

Determining Ionic Conductivity from Structural Models of Fast Ionic Conductors

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2791485

The highest bond order between heavier main-group elements in an isolated compound? Energetics and vibrational spectroscopy of S2I4(MF6)2 (M = As, Sb)

1 December 2018

1 reference

12 December 2020

Structure prediction of ordered and disordered multiple octahedral cation perovskites using SPuDS

1 reference

12 December 2020

A new relation between bond valence and bond distance

1 reference

12 December 2020

Structures of incommensurate and commensurate composite crystals NaxCuO2 (x=1.58, 1.6, 1.62)

1 reference

12 December 2020

Relationship between local structure and phase transitions of a disordered solid solution

1 reference

12 December 2020

On the correlations between the polyhedron eccentricity parameters and the bond-valence sums for the cations with one lone electron pair. Addendum

1 reference

12 December 2020

New lanthanide-nitrogen bond-valence parameters

1 reference

12 December 2020

Comparison of the proton-transfer path in hydrogen bonds from theoretical potential-energy surfaces and the concept of conservation of bond order. II. (N-H...N)(+) hydrogen bonds

1 reference

12 December 2020

New bond-valence parameters for lanthanides

1 reference

12 December 2020

Is the bond-valence method able to identify metal atoms in protein structures?

1 reference

12 December 2020

Bond valence sums in coordination chemistry. The calculation of the oxidation state of cerium in complexes containing cerium bonded only to oxygen

1 reference

12 December 2020

General Rules for Predicting Phase Transitions in Perovskites due to Octahedral Tilting

1 reference

12 December 2020

The assignment and validation of metal oxidation states in the Cambridge Structural Database

1 reference

12 December 2020

Carbonate adsorption on goethite in competition with phosphate

1 reference

12 December 2020

Accurate bond-valence parameters for the Bi3+/Br- ion pair

1 reference

12 December 2020

Cation-anion interactions and polar structures in the solid state

1 reference

12 December 2020

Influence of pressure on the lengths of chemical bonds

1 reference

12 December 2020

Crystal structure and relaxor-type transition in SrBi(2)Ta(2)O(9) doped with praseodymium

1 reference

12 December 2020

Bond Valence Sums in Coordination Chemistry. A Simple Method for Calculating the Oxidation State of Cobalt in Complexes Containing Only Co-O Bonds

1 reference

12 December 2020

Bond Valence Sums in Coordination Chemistry. The Calculation of the Oxidation State of Samarium in Complexes Containing Samarium Bonded Only to Oxygen

1 reference

12 December 2020

Bond valence sums in coordination chemistry. Calculation of the oxidation state of chromium in complexes containing only Cr-O bonds and a redetermination of the crystal structure of potassium tetra(peroxo)chromate(V)

1 reference

12 December 2020

Prediction of the crystal structures of perovskites using the software program SPuDS

1 reference

12 December 2020

On the relationship between charge distribution, surface hydration, and the structure of the interface of metal hydroxides

1 reference

12 December 2020

Relationship between bond valence and bond softness of alkali halides and chalcogenides

1 reference

12 December 2020

Some experimental evidence that Zn4O(BO3)2 is Zn6O(OH)(BO3)3

1 reference

12 December 2020

On the correlations between the polyhedron eccentricity parameters and the bond-valence sums for the cations with one lone electron pair

1 reference

12 December 2020

Bond-valence parameters for ammonium-anion interactions

1 reference

12 December 2020

Molecular orbital study of the bond-valence sum rule using Lewis-electron pair theory

1 reference

12 December 2020

The development of versions 3 and 4 of the Cambridge Structural Database System

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00002A004

5 March 2023

Identifiers

DOI

10.1021/CR900053K

1 reference

16 October 2017

1 reference

16 October 2017

1 reference

PMCID

2791485