(Q57436838)

Polymorphism in 2-4-6 Trinitrotoluene

21 January 2018

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21 January 2018

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Elucidation of crystal form diversity of the HIV protease inhibitor ritonavir by high-throughput crystallization

21 January 2018

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

21 January 2018

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Transition path sampling: throwing ropes over rough mountain passes, in the dark.

21 January 2018

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Computer simulation study of free energy barriers in crystal nucleation

21 January 2018

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Prediction of absolute crystal-nucleation rate in hard-sphere colloids

21 January 2018

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Nucleation and polymorph selection in a model colloidal fluid.

21 January 2018

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Crystal nucleation in binary hard sphere mixtures: a Monte Carlo simulation study.

21 January 2018

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Insights into the molecular mechanism underlying polymorph selection.

21 January 2018

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Molecular modeling of freezing of simple fluids confined within carbon nanotubes

21 January 2018

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Polymorph selection during the crystallization of Yukawa systems.

21 January 2018

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Nucleation of hexagonal ice (Ih) in liquid water.

21 January 2018

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Molecular simulation of the homogeneous crystal nucleation of carbon dioxide.

21 January 2018

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Molecular crystal global phase diagrams. I. Method of construction.

21 January 2018

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Orientational melting and reorientational motion in a cubane molecular crystal: a molecular simulation study

21 January 2018

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Thermal behavior of disordered phase of caffeine molecular crystal: insights from Monte Carlo simulation studies.

21 January 2018

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Molecular simulation of crystal nucleation in n-octane melts

21 January 2018

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Quaternions in molecular modeling

21 January 2018

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Estimation of order restricted concentration parameters of von Mises distributions

21 January 2018

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

21 January 2018

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The Hungarian method for the assignment problem

21 January 2018

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Scalable molecular dynamics with NAMD

21 January 2018

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Molecular symmetry with quaternions.

21 January 2018

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Precision neutron diffraction structure determination of protein and nucleic acid components. III. The crystal and molecular structure of the amino acid α-glycine

21 January 2018

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The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

21 January 2018

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

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Surface-mediated nucleation in the solid-state polymorph transformation of terephthalic acid.

21 January 2018

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Evidence for a size dependent nucleation mechanism in solid state polymorph transformations

21 January 2018

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VMD: visual molecular dynamics

21 January 2018

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The prevalent distrust of science

21 January 2018

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Relationship between structural order and the anomalies of liquid water

21 January 2018

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Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing

21 January 2018

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Stabilization of a metastable crystalline phase by twinning

21 January 2018

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