CCCC > Archive > Keywords > Molecular dynamics
- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
Molecular dynamics
- Michal Petrov, Lukasz Cwiklik and Pavel Jungwirth*
Interactions of molecular ions with model phospholipid membranes
2011, Vol. 76, Issue 6, pp. 695–711
[Abstract]
- Ivan Černušák*, Jozef Federič, Pavel Jungwirth and Milan Uhlár
Effects of micro-hydration in proton transfer from H2S·NO+ complex to water: Ab initio and molecular dynamics study
2011, Vol. 76, Issue 5, pp. 585–603
[Abstract]
- Ariel A. Chialvo* and J. Michael Simonson
Solvation and ion pair association in aqueous metal sulfates: Interpretation of NDIS raw data by isobaric–isothermal molecular dynamics simulation
2010, Vol. 75, Issue 4, pp. 405–424
[Abstract]
- Karel Matas* and Jiří Kolafa
Molecular dynamics simulations of aqueous solutions of ionic liquids
2010, Vol. 75, Issue 3, pp. 333–348
[Abstract]
- Flor R. Siperstein, Martin Lísal* and John K. Brennan
A molecular simulation study of adsorption of nitrogen and methane in titanium silicate (ETS-4)
2010, Vol. 75, Issue 2, pp. 145–164
[Abstract]
- Michal Ilčin*, Vladimír Lukeš, Viliam Laurinc and Stanislav Biskupič
Theoretical Study of the vdW Complex Cd···N2
2008, Vol. 73, Issue 10, pp. 1357–1371
[Abstract]
- Jiří Kolafa
A Polarizable Three-Site Water Model with Intramolecular Polarizability
2008, Vol. 73, Issue 4, pp. 507–517
[Abstract]
- Peter Košovan, Zuzana Limpouchová and Karel Procházka*
Charge Distribution and Conformations of Weak Polyelectrolyte Chains in Poor Solvents
2008, Vol. 73, Issue 4, pp. 439–458
[Abstract]
- Jindřich Fanfrlík, Jaroslav Rejnek, Michal Hanus and Pavel Hobza*
Hydration Gibbs Energies of Nucleic Acid Bases Determined by Gibbs Energy Perturbation, Continuous and Hybrid Approaches
2005, Vol. 70, Issue 11, pp. 1756–1768
[Abstract]
- Markus G. Müller and Hanspeter Huber*
Linear Scaling with Cluster Size for Calculations of NMR Properties in Liquids
2003, Vol. 68, Issue 12, pp. 2292–2296
[Abstract]
- Pavel Jungwirth* and Victoria Buch
Van der Waals Attraction and Coalescence of Aqueous Salt Nanodroplets
2003, Vol. 68, Issue 12, pp. 2283–2291
[Abstract]
- Jaromír Jakeš
Plots of the Spin-Lattice Relaxation Time and Nuclear Overhauser Enhancement NMR Values Yielding a Spread Distribution of the Rotational Correlation Time
2000, Vol. 65, Issue 10, pp. 1537–1558
[Abstract]
- Carme Brosa, Ismael Zamora, Emma Terricabras and Ladislav Kohout
The Effect of Electrostatic Properties and Abibility to Form Hydrogen-Bonds on the Activity of Brassinosteroid Side-Chain Analogs
1998, Vol. 63, Issue 10, pp. 1635–1645
[Abstract]
- Zuzana Gálová and Tibor Kožár
Effect of Structural Variability of the Ceramide Part on the Saccharide-Ceramide Linkage in Model Glycolipids Studied by Molecular Mechanics and Molecular Dynamics Methods
1996, Vol. 61, Issue 10, pp. 1405–1431
[Abstract]
