Aurora J. Cruz-Cabeza: search on Z-Library

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1

Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine

Cruz-Cabeza, Aurora J., Day, Graeme M., Jones, William

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.94 MB

english, 2011

2

Isolation and evolution of labile sulfur allotropes via kinetic encapsulation in interactive porous networks

Kitagawa, Hakuba, Ohtsu, Hiroyoshi, Cruz-Cabeza, Aurora J., Kawano, Masaki

Journal:

Year:

2016

Language:

english

File:

PDF, 463 KB

english, 2016

3

Acid–base crystalline complexes and the pKa rule

Cruz-Cabeza, Aurora J.

Journal:

Year:

2012

Language:

english

File:

PDF, 645 KB

english, 2012

4

Facts and fictions about polymorphism

Cruz-Cabeza, Aurora J., Reutzel-Edens, Susan M., Bernstein, Joel

Journal:

Chemical Society Reviews

Year:

2015

Language:

english

File:

PDF, 2.45 MB

english, 2015

5

A Truly Polymorphic Issue in Honour of Prof Joel Bernstein

Cruz-Cabeza, Aurora J., Ward, Mike, Lemmerer, Andreas, Friscic, Tomislav

Journal:

Crystal Growth & Design

Year:

2020

Language:

english

File:

PDF, 260 KB

english, 2020

6

Concerning Elusive Crystal Forms: The Case of Paracetamol

Liu, Yumin, Gabriele, Benjamin, Davey, Roger J., Cruz-Cabeza, Aurora J.

Journal:

Journal of the American Chemical Society

Year:

2020

Language:

english

File:

PDF, 2.69 MB

english, 2020

7

Same or different â that is the question: identification of crystal forms from crystal structure data

Sacchi, Pietro, Lusi, Matteo, Cruz-Cabeza, Aurora J., Nauha, Elisa, Bernstein, Joel

Journal:

Year:

2020

File:

PDF, 3.53 MB

2020

8

Towards Prediction of Stoichiometry in Crystalline Multicomponent Complexes

Aurora J. Cruz-Cabeza, Graeme M. Day, William Jones

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 756 KB

english, 2008

9

Predicting Inclusion Behaviour and Framework Structures in Organic Crystals

Aurora J. Cruz-Cabeza, Graeme M. Day, William Jones

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 1013 KB

english, 2009

10

Local environment and acidity in alkaline and alkaline-earth exchanged β zeolite: Structural analysis and catalytic properties

Dolores Esquivel, Aurora J. Cruz-Cabeza, César Jiménez-Sanchidrián, Francisco J. Romero-Salguero

Journal:

Microporous and Mesoporous Materials

Year:

2011

Language:

english

File:

PDF, 700 KB

english, 2011

11

Enhanced Concentration of Medium Strength Brönsted Acid Sites in Aluminium-Modified β Zeolite

Dolores Esquivel, Aurora J. Cruz-Cabeza, César Jiménez-Sanchidrián, Francisco J. Romero-Salguero

Journal:

Catalysis Letters

Year:

2012

Language:

english

File:

PDF, 248 KB

english, 2012

12

Annular tautomerism: experimental observations and quantum mechanics calculations

Aurora J. Cruz-Cabeza, Adrian Schreyer, William R. Pitt

Journal:

Journal of Computer-Aided Molecular Design

Year:

2010

Language:

english

File:

PDF, 788 KB

english, 2010

13

Observed and predicted hydrogen bond motifs in crystal structures of hydantoins, dihydrouracils and uracils

Cruz-Cabeza, Aurora J., Schwalbe, Carl H.

Journal:

New Journal of Chemistry

Year:

2012

Language:

english

File:

PDF, 2.22 MB

english, 2012

14

Is the Fenamate Group a Polymorphophore? Contrasting the Crystal Energy Landscapes of Fenamic and Tolfenamic Acids

Uzoh, Ogaga G., Cruz-Cabeza, Aurora J., Price, Sarah L.

Journal:

Crystal Growth & Design

Year:

2012

Language:

english

File:

PDF, 3.12 MB

english, 2012

15

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

Andrei V. Kazantsev, Panagiotis G. Karamertzanis, Claire S. Adjiman, Constantinos C. Pantelides, Sarah L. Price, Peter T.A. Galek, Graeme M. Day, Aurora J. Cruz-Cabeza

Journal:

International Journal of Pharmaceutics

Year:

2011

Language:

english

File:

PDF, 620 KB

english, 2011

16

Systematic conformational bias in small-molecule crystal structures is rare and explicable

Cruz-Cabeza, Aurora J., Liebeschuetz, John W., Allen, Frank H.

Journal:

Year:

2012

Language:

english

File:

PDF, 1.47 MB

english, 2012

17

Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids

Moragues-Bartolome, Alaina M., Jones, William, Cruz-Cabeza, Aurora J.

Journal:

Year:

2012

Language:

english

File:

PDF, 791 KB

english, 2012

18

Controlling molecular tautomerism through supramolecular selectivity

Epa, Kanishka, Aakeröy, Christer B., Desper, John, Rayat, Sundeep, Chandra, Kusum Lata, Cruz-Cabeza, Aurora J.

Journal:

Chemical Communications

Year:

2013

Language:

english

File:

PDF, 1.26 MB

english, 2013

19

Transition metal exchanged β zeolites: Characterization of the metal state and catalytic application in the methanol conversion to hydrocarbons

Esquivel, Dolores, Cruz-Cabeza, Aurora J., Jiménez-Sanchidrián, César, Romero-Salguero, Francisco J.

Journal:

Microporous and Mesoporous Materials

Year:

2013

Language:

english

File:

PDF, 1.76 MB

english, 2013

20

Conformational Polymorphism

Cruz-Cabeza, Aurora J., Bernstein, Joel

Journal:

Chemical Reviews

Year:

2014

Language:

english

File:

PDF, 7.02 MB

english, 2014

21

Predicting stoichiometry and structure of solvates

Cruz-Cabeza, Aurora J., Karki, Shyam, Fábián, László, Friščić, Tomislav, Day, Graeme M., Jones, William

Journal:

Chemical Communications

Year:

2010

Language:

english

File:

PDF, 1.22 MB

english, 2010

22

Hydrogen-bond landscapes, geometry and energetics of squaric acid and its mono- and dianions: a Cambridge Structural Database, IsoStar and computational study

Allen, Frank H., Cruz-Cabeza, Aurora J., Wood, Peter A., Bardwell, David A.

Journal:

Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials

Year:

2013

Language:

english

File:

PDF, 813 KB

english, 2013

23

Metal-Exchanged β Zeolites as Catalysts for the Conversion of Acetone to Hydrocarbons

Cruz-Cabeza, Aurora J., Esquivel, Dolores, Jiménez-Sanchidrián, César, Romero-Salguero, Francisco J.

Journal:

Year:

2012

Language:

english

File:

PDF, 373 KB

english, 2012

24

“Guanigma”: The Revised Structure of Biogenic Anhydrous Guanine

Hirsch, Anna, Gur, Dvir, Polishchuk, Iryna, Levy, Davide, Pokroy, Boaz, Cruz-Cabeza, Aurora J., Addadi, Lia, Kronik, Leeor, Leiserowitz, Leslie

Journal:

Chemistry of Materials

Year:

2015

Language:

english

File:

PDF, 4.08 MB

english, 2015

25

ChemInform Abstract: Conformational Polymorphism

Cruz-Cabeza, Aurora J., Bernstein, Joel

Journal:

Year:

2014

File:

PDF, 17 KB

2014

26

ChemInform Abstract: Facts and Fictions About Polymorphism

Cruz-Cabeza, Aurora J., Reutzel-Edens, Susan M., Bernstein, Joel

Journal:

Year:

2015

File:

PDF, 12 KB

2015

27

Crystal structure prediction: are we there yet?

Cruz-Cabeza, Aurora J.

Journal:

Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials

Year:

2016

Language:

english

File:

PDF, 157 KB

english, 2016

28

Aromatic stacking – a key step in nucleation

Cruz-Cabeza, Aurora J., Davey, Roger J., Sachithananthan, Sharlinda Salim, Smith, Rebecca, Tang, Sin Kim, Vetter, Thomas, Xiao, Yan

Journal:

Chemical Communications

Year:

2017

Language:

english

File:

PDF, 899 KB

english, 2017

29

The Curious Case of 2-Propyl-1 H -benzimidazole in the Solid State: An Experimental and Theoretical Study

Quesada-Moreno, María Mar, Cruz-Cabeza, Aurora J., Avilés-Moreno, Juan Ramón, Cabildo, Pilar, Claramunt, Rosa M., Alkorta, Ibon, Elguero, José, Zúñiga, Francisco J., López-González, Juan Jesús

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.83 MB

english, 2017

30

Cocrystals help breaking the “rules” of isostructurality: solid solutions and polymorphism in the malic/tartaric acid system.

Cruz-Cabeza, Aurora J., Lestari, Monica, Lusi, Matteo

Journal:

Crystal Growth & Design

Year:

2017

Language:

english

File:

PDF, 1011 KB

english, 2017

31

Crystal nucleation and growth in a polymorphic system: Ostwald’s Rule, p-aminobenzoic acid and nucleation transition states.

Black, James, Cardew, Peter Townsend, Cruz-Cabeza, Aurora, Davey, Roger J, Gilks, Sara, Sullivan, Rachel

Journal:

Year:

2018

Language:

english

File:

PDF, 871 KB

english, 2018

32

On the Kinetics of Solvate Formation through Mechanochemistry

Hasa, D, Pastore, Mariana, Arhangelskis, Mihails, Gabriele, Benjamin, Cruz-Cabeza, Aurora, Schneider Rauber, Gabriela, Bond, Andrew David, Jones, William

Journal:

Year:

2018

Language:

english

File:

PDF, 1.98 MB

english, 2018

33

Salts, Cocrystals, and Ionic Cocrystals of a “Simple” Tautomeric Compound

Wang, Ting, Stevens, Joanna S., Vetter, Thomas, Whitehead, George F. S., Vitorica-Yrezabal, Iñigo J., Hao, Hongxun, Cruz-Cabeza, Aurora J.

Journal:

Crystal Growth & Design

Year:

2018

Language:

english

File:

PDF, 3.09 MB

english, 2018

34

Applications of crystal structure prediction – organic molecular structures: general discussion

Adjiman, Claire S., Brandenburg, Jan Gerit, Braun, Doris E., Cole, Jason, Collins, Christopher, Cooper, Andrew I., Cruz-Cabeza, Aurora J., Day, Graeme M., Dudek, Marta, Hare, Alan, Iuzzolino, Luca, Mc

Journal:

Faraday Discussions

Year:

2018

Language:

english

File:

PDF, 1.22 MB

english, 2018

35

Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

Addicoat, Matthew, Adjiman, Claire S., Arhangelskis, Mihails, Beran, Gregory J. O., Bowskill, David, Brandenburg, Jan Gerit, Braun, Doris E., Burger, Virginia, Cole, Jason, Cruz-Cabeza, Aurora J., Day

Journal:

Faraday Discussions

Year:

2018

Language:

english

File:

PDF, 1.18 MB

english, 2018

36

The kinetic story of tailor-made additives in polymorphic systems: new data and molecular insights for p-aminobenzoic acid.

Black, James F.B., Cruz-Cabeza, Aurora J., Davey, Roger J., Willacy, Robert D., Yeoh, Alvin

Journal:

Crystal Growth & Design

Year:

2018

Language:

english

File:

PDF, 1.26 MB

english, 2018

37

Polymorphism in p -aminobenzoic acid

Cruz-Cabeza, Aurora J., Davey, Roger J., Oswald, Iain D. H., Ward, Martin R., Sugden, Isaac J.

Journal:

Year:

2019

File:

PDF, 2.85 MB

2019

38

Joel Bernstein (1941–2019)

Davey, Roger, Cruz-Cabeza, Aurora

Journal:

Crystal Growth & Design

Year:

2019

File:

PDF, 1.82 MB

2019

39

Joel Bernstein (1941–2019)

Davey, Roger, Cruz-Cabeza, Aurora

Journal:

Crystal Growth & Design

Year:

2019

Language:

english

File:

PDF, 1.82 MB

english, 2019

40

The solid state of pharmaceuticals

Edkins, Katharina, Cruz-Cabeza, Aurora J.

Journal:

Year:

2019

Language:

english

File:

PDF, 163 KB

english, 2019

41

When crystals don’t grow - the growth dead zone.

Liu, Yumin, Black, James, Boon, Kai F., Cruz-Cabeza, Aurora J., Davey, Roger J., Dowling, Richard, George, Neil, Hutchinson, Adrian, Montis, Riccardo

Journal:

Crystal Growth & Design

Year:

2019

Language:

english

File:

PDF, 1.07 MB

english, 2019

42

Is it usual to be unusual? An investigation into molecular conformations in organic crystals

Wright, Sarah E., Bryant, Mathew J., Cruz-Cabeza, Aurora J.

Journal:

Year:

2020

File:

PDF, 3.14 MB

2020

43

On the entropy cost of making solvates

Cruz-Cabeza, Aurora J., Wright, Sarah E., Bacchi, Alessia

Journal:

Chemical Communications

Year:

2020

File:

PDF, 1.81 MB

2020

44

Conformational Change Initiates Dehydration in Fluconazole Monohydrate

Basford, Patricia A., Cameron, Christopher A, Cruz-Cabeza, Aurora J.

Journal:

Crystal Growth & Design

Year:

2020

File:

PDF, 1.65 MB

2020

45

Transforming Computed Energy Landscapes into Experimental Realities - the Role of Structural Rugosity

Cruz-Cabeza, Aurora J., Montis, Riccardo, Davey, Roger J., Wright, Sarah E., Woollam, Grahame R.

Journal:

Angewandte Chemie

Year:

2020

File:

PDF, 1.18 MB

2020

46

Transforming Computed Energy Landscapes into Experimental Realities â the Role of Structural Rugosity

Cruz-Cabeza, Aurora J., Montis, Riccardo, Davey, Roger J., Wright, Sarah E., Woollam, Grahame R.

Journal:

Angewandte Chemie International Edition

Year:

2020

File:

PDF, 1.18 MB

2020

47

Nanoindentation of Molecular Crystals: Lessons Learnt from Aspirin

Gabriele, Benjamin P.A., Williams, Craig J, Lauer, Matthias Eckhard, Derby, Brian, Cruz-Cabeza, Aurora J.

Journal:

Crystal Growth & Design

Year:

2020

File:

PDF, 872 KB

2020

48

Isomechanical Groups in Molecular Crystals and Role of Aromatic Interactions

Gabriele, Benjamin P. A., Williams, Craig J., Lauer, Matthias Eckhard, Derby, Brian, Cruz-Cabeza, Aurora J.

Journal:

Crystal Growth & Design

Year:

2020

File:

PDF, 4.91 MB

2020

49

Open questions in organic crystal polymorphism

Cruz-Cabeza, Aurora J., Feeder, Neil, Davey, Roger J.

Journal:

Communications Chemistry

Year:

2020

File:

PDF, 674 KB

2020

50

Can molecular flexibility control crystallization? The case of para substituted benzoic acids

Tang, Sin Kim, Davey, Roger J., Sacchi, Pietro, Cruz-Cabeza, Aurora J.

Journal:

Chemical Science

Year:

2021

File:

PDF, 653 KB

2021