Samios J - Search Results

1

Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: a combined ab initio and Monte Carlo investigation.

Mpourmpakis G, Froudakis GE, Lithoxoos GP, Samios J. Mpourmpakis G, et al. Among authors: samios j. J Chem Phys. 2007 Apr 14;126(14):144704. doi: 10.1063/1.2717170. J Chem Phys. 2007. PMID: 17444729

2

SiC nanotubes: A novel material for hydrogen storage.

Mpourmpakis G, Froudakis GE, Lithoxoos GP, Samios J. Mpourmpakis G, et al. Among authors: samios j. Nano Lett. 2006 Aug;6(8):1581-3. doi: 10.1021/nl0603911. Nano Lett. 2006. PMID: 16895338

3

Local density augmentation and dynamic properties of hydrogen-and non-hydrogen-bonded supercritical fluids: a molecular dynamics study.

Skarmoutsos I, Samios J. Skarmoutsos I, et al. Among authors: samios j. J Chem Phys. 2007 Jan 28;126(4):044503. doi: 10.1063/1.2431370. J Chem Phys. 2007. PMID: 17286483

4

Investigation of the local composition enhancement and related dynamics in supercritical CO2-cosolvent mixtures via computer simulation: the case of ethanol in CO2.

Skarmoutsos I, Dellis D, Samios J. Skarmoutsos I, et al. Among authors: samios j. J Chem Phys. 2007 Jun 14;126(22):224503. doi: 10.1063/1.2738476. J Chem Phys. 2007. PMID: 17581059

5

Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO(2)-ethanol mixtures and the effect of hydrogen bonding on single reorientational and translational dynamics: A molecular dynamics simulation study.

Skarmoutsos I, Guardia E, Samios J. Skarmoutsos I, et al. Among authors: samios j. J Chem Phys. 2010 Jul 7;133(1):014504. doi: 10.1063/1.3449142. J Chem Phys. 2010. PMID: 20614973

6

Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations.

Idrissi A, Marekha BA, Barj M, Miannay FA, Takamuku T, Raptis V, Samios J, Jedlovszky P. Idrissi A, et al. Among authors: samios j. J Chem Phys. 2017 Jun 21;146(23):234507. doi: 10.1063/1.4985630. J Chem Phys. 2017. PMID: 28641432

7

Structure and dynamics of liquid CS₂: Going from ambient to elevated pressure conditions.

Skarmoutsos I, Mossa S, Samios J. Skarmoutsos I, et al. Among authors: samios j. J Chem Phys. 2016 Oct 21;145(15):154505. doi: 10.1063/1.4964816. J Chem Phys. 2016. PMID: 27782484

8

Investigating the Bioactive Conformation of Angiotensin II Using Markov State Modeling Revisited with Web-Scale Clustering.

Christoforou E, Leontiadou H, Noé F, Samios J, Emiris IZ, Cournia Z. Christoforou E, et al. Among authors: samios j. J Chem Theory Comput. 2022 Sep 13;18(9):5636-5648. doi: 10.1021/acs.jctc.1c00881. Epub 2022 Aug 9. J Chem Theory Comput. 2022. PMID: 35944098

9

Pressure and temperature dependence of the hydrogen bonding in supercritical ethanol: a computer simulation study.

Dellis D, Chalaris M, Samios J. Dellis D, et al. Among authors: samios j. J Phys Chem B. 2005 Oct 6;109(39):18575-90. doi: 10.1021/jp051688a. J Phys Chem B. 2005. PMID: 16853392

10

The effect of intermolecular interactions on local density inhomogeneities and related dynamics in pure supercritical fluids. A comparative molecular dynamics simulation study.

Skarmoutsos I, Dellis D, Samios J. Skarmoutsos I, et al. Among authors: samios j. J Phys Chem B. 2009 Mar 5;113(9):2783-93. doi: 10.1021/jp809271n. J Phys Chem B. 2009. PMID: 19708211

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