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Physical Chemistry Chemical Physics : PCCP
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February 28, 2015
Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals
Ogaga G Uzoh, Peter T A Galek, Sarah L Price
The Journal of Physical Chemistry. A
|
January 18, 2020
Calculation of Diamagnetic Susceptibility Tensors of Organic Crystals: From Coronene to Pharmaceutical Polymorphs
Rui Guo, M Nadia Uddin, Louise S Price, et al.
Chemical Communications (Cambridge, England)
|
May 20, 2016
Isomorphous template induced crystallisation: a robust method for the targeted crystallisation of computationally predicted metastable polymorphs
Vijay K Srirambhatla, Rui Guo, Sarah L Price, et al.
Journal of the American Chemical Society
|
October 20, 2007
Carbonic acid: from polyamorphism to polymorphism
Katrin Winkel, Wolfgang Hage, Thomas Loerting, et al.
Chemical Communications (Cambridge, England)
|
May 27, 2011
A strategy for producing predicted polymorphs: catemeric carbamazepine form V
Jean-Baptiste Arlin, Louise S Price, Sarah L Price, et al.
The Journal of Physical Chemistry. B
|
March 18, 2008
The thermal stability of lattice-energy minima of 5-fluorouracil: metadynamics as an aid to polymorph prediction
Panagiotis G Karamertzanis, Paolo Raiteri, Michele Parrinello, et al.
The Journal of Physical Chemistry. B
|
March 7, 2012
The complexity of hydration of phloroglucinol: a comprehensive structural and thermodynamic characterization
Doris E Braun, Derek A Tocher, Sarah L Price, et al.
The Journal of Chemical Physics
|
December 31, 2020
Diabat method for polymorph free energies: Extension to molecular crystals
Kartik Kamat, Rui Guo, Susan M Reutzel-Edens, et al.
ACS Omega
|
August 29, 2019
Charge Distributions of Nitro Groups Within Organic Explosive Crystals: Effects on Sensitivity and Modeling
Alexander A Aina, Alston J Misquitta, Maximillian J S Phipps, et al.
The Journal of Physical Chemistry. B
|
February 24, 2006
Kinetic insights into the role of the solvent in the polymorphism of 5-fluorouracil from molecular dynamics simulations
Said Hamad, Changman Moon, C Richard A Catlow, et al.
Page
of 9
Search research articles
Search
Showing results (31-40 of 90) with videos related to
Sort By:
Page
of 9
Physical Chemistry Chemical Physics : PCCP
|
February 28, 2015
Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals
Ogaga G Uzoh, Peter T A Galek, Sarah L Price
The Journal of Physical Chemistry. A
|
January 18, 2020
Calculation of Diamagnetic Susceptibility Tensors of Organic Crystals: From Coronene to Pharmaceutical Polymorphs
Rui Guo, M Nadia Uddin, Louise S Price, et al.
Chemical Communications (Cambridge, England)
|
May 20, 2016
Isomorphous template induced crystallisation: a robust method for the targeted crystallisation of computationally predicted metastable polymorphs
Vijay K Srirambhatla, Rui Guo, Sarah L Price, et al.
Journal of the American Chemical Society
|
October 20, 2007
Carbonic acid: from polyamorphism to polymorphism
Katrin Winkel, Wolfgang Hage, Thomas Loerting, et al.
Chemical Communications (Cambridge, England)
|
May 27, 2011
A strategy for producing predicted polymorphs: catemeric carbamazepine form V
Jean-Baptiste Arlin, Louise S Price, Sarah L Price, et al.
The Journal of Physical Chemistry. B
|
March 18, 2008
The thermal stability of lattice-energy minima of 5-fluorouracil: metadynamics as an aid to polymorph prediction
Panagiotis G Karamertzanis, Paolo Raiteri, Michele Parrinello, et al.
The Journal of Physical Chemistry. B
|
March 7, 2012
The complexity of hydration of phloroglucinol: a comprehensive structural and thermodynamic characterization
Doris E Braun, Derek A Tocher, Sarah L Price, et al.
The Journal of Chemical Physics
|
December 31, 2020
Diabat method for polymorph free energies: Extension to molecular crystals
Kartik Kamat, Rui Guo, Susan M Reutzel-Edens, et al.
ACS Omega
|
August 29, 2019
Charge Distributions of Nitro Groups Within Organic Explosive Crystals: Effects on Sensitivity and Modeling
Alexander A Aina, Alston J Misquitta, Maximillian J S Phipps, et al.
The Journal of Physical Chemistry. B
|
February 24, 2006
Kinetic insights into the role of the solvent in the polymorphism of 5-fluorouracil from molecular dynamics simulations
Said Hamad, Changman Moon, C Richard A Catlow, et al.
Page
of 9