Correction to âDynamics and Thermodynamics of Crystalline

Correction to âDynamics and Thermodynamics of Crystalline

Oct 2, 2012 - Thammarat Aree,* Hans-Beat BÃ¼rgi, and Silvia C. Capelli. J. Phys. Chem. A 2012 ... also thank Dr. Gwilherm Nenert at ILL for help in setting up.

Dynamics and Thermodynamics of Crystalline ... - ACS Publications

Jul 18, 2013 - Dynamics and Thermodynamics of Crystalline Polymorphs. 2. Î²âGlycine, Analysis of Variable-Temperature Atomic Displacement. Parameters.

Dynamics and Thermodynamics of Crystalline Polymorphs. 3. Î³

Madsen , A. O.; Civalleri , B.; Ferrabone , M.; Pascale , F.; Erba , A. Anisotropic Displacement Parameters for Molecular Crystals from Periodic Hartree-Fock and ...

Dynamics and Thermodynamics of Crystalline Polymorphs: Î±-Glycine

DOI: 10.1021/jp304858y. Publication Date (Web): June 29, 2012 ... Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host.

Dynamics and Thermodynamics of Crystalline Polymorphs. 2. Î²

Jul 18, 2013 - The molecular dynamics in the crystal and the thermodynamic functions of the Î²-polymorph of glycine have been determined from a combination of ... ADPs have been obtained from variable-temperature diffraction data to 0.5 Ã resolution

Dynamics and Thermodynamics of Crystalline Polymorphs. 2. Î²

Jul 18, 2013 - Thammarat Aree , Hans-Beat BÃ¼rgi , Dmitry Chernyshov , and Karl W. TÃ¶rnroos. The Journal of Physical Chemistry A 2014 118 (43), 9951-9959.

Correction to âModeling of Adsorption Thermodynamics of Linear and

We would like to make a specification regarding the force field used in our article.1. There is a factual error in the description of the force field in our previous ...

Correction to Thermodynamics and Kinetics of Association of

Correction to Thermodynamics and Kinetics of Association of Antibiotics with the Aminoglycoside Acetyltransferase (3)-IIIb, ... Published online 16 October 2013.

Correction to âModeling of Adsorption Thermodynamics of Linear and

Apr 25, 2018 - We would like to make a specification regarding the force field used in our article.1. There is a factual error in the description of the force field in.

Correction to âMolecular Dynamics Simulation for the Dynamics and

Correction to âMolecular Dynamics Simulation for the Dynamics and Kinetics of Folding Peptides in the Gas Phaseâ. Iraklis Litinas and Andreas D. Koutselos*. J. Phys. Chem. A , 2016, 120 (7), pp 1133â1133. DOI: 10.1021/acs.jpca.6b01372. Publicat

Correction to âDynamics and Thermodynamics of Crystalline

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Correction to âDynamics and Thermodynamics of Crystalline