Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate (Q42025590)

15 October 2017

Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate (English)

1 reference

15 October 2017

8

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15 October 2017

Doris E Braun

1

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Derek A. Tocher

object named as

Derek A Tocher

7

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author name string

Rajni M Bhardwaj

2

1 reference

15 October 2017

Jean-Baptiste Arlin

3

1 reference

15 October 2017

Alastair J Florence

4

1 reference

15 October 2017

Volker Kahlenberg

5

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15 October 2017

Ulrich J Griesser

6

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15 October 2017

language of work or name

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24 July 2013

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15 October 2017

Crystal Growth & Design

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15 October 2017

13

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15 October 2017

9

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15 October 2017

4071-4083

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Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates

15 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

The complexity of hydration of phloroglucinol: a comprehensive structural and thermodynamic characterization

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Predicting inclusion behaviour and framework structures in organic crystals

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

How molecules stick together in organic crystals: weak intermolecular 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=3767201

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Solid form screening--a review.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Polymorph control: past, present and future

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

5 June 2018

A short history of SHELX

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

On the polymorphism of aspirin

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Crystalline polymorph selection and discovery with polymer heteronuclei.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

The Cambridge Structural Database: a quarter of a million crystal structures and rising

5 June 2018

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

5 June 2018

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

5 June 2018

Concomitant Polymorphs

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Generalized Gradient Approximation Made Simple

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Efficient Handling of Molecular Flexibility in Lattice Energy Minimization of Organic Crystals.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

High pressure ionic and molecular crystals of ammonia monohydrate within density functional theory

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

The polymorphism of progesterone: stabilization of a 'disappearing' polymorph by co-crystallization.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Ab initio crystal structure prediction-I. Rigid molecules.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

A probabilistic approach to space-group determination from powder diffraction data.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3767201

Distributed Multipole Analysis: Stability for Large Basis Sets

17 August 2018

1 reference

12 December 2020

Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials

1 reference

12 December 2020

Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure prediction

1 reference

12 December 2020

Molecular Polarization Effects on the Relative Energies of the Real and Putative Crystal Structures of Valine

1 reference

12 December 2020

Effect of dissolved oxygen levels on oxidative degradation of pyrogallol.

1 reference

12 December 2020

Computed Crystal Energy Landscapes for Understanding and Predicting Organic Crystal Structures and Polymorphism

1 reference

12 December 2020

On the inclusion of solvent molecules in the crystal structures of organic compounds

1 reference

12 December 2020

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

1 reference

12 December 2020

A strategy for producing predicted polymorphs: catemeric carbamazepine form V

1 reference

12 December 2020

Single-crystal structure validation with the program PLATON

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1107/S0021889802022112

9 April 2023

Identifiers

DOI

10.1021/CG4009015

1 reference

15 October 2017

1 reference

15 October 2017

PubMed publication ID

24027438

1 reference