109 related articles for article (PubMed ID: 21766807)
1. Heterogeneity of the local structure in sub- and supercritical ammonia: a Voronoi polyhedra analysis.
Idrissi A; Vyalov I; Kiselev M; Fedorov MV; Jedlovszky P
J Phys Chem B; 2011 Aug; 115(31):9646-52. PubMed ID: 21766807
[TBL] [Abstract][Full Text] [Related]
2. Investigation of the local structure in sub and supercritical ammonia using the nearest neighbor approach: a molecular dynamics analysis.
Vyalov I; Kiselev M; Tassaing T; Soetens JC; Idrissi A
J Phys Chem B; 2010 Nov; 114(46):15003-10. PubMed ID: 21028760
[TBL] [Abstract][Full Text] [Related]
3. On the characterization of inhomogeneity of the density distribution in supercritical fluids via molecular dynamics simulation and data mining analysis.
Idrissi A; Vyalov I; Georgi N; Kiselev M
J Phys Chem B; 2013 Oct; 117(40):12184-8. PubMed ID: 24015951
[TBL] [Abstract][Full Text] [Related]
4. Detailed insight into the hydrogen bonding interactions in acetone-methanol mixtures. A molecular dynamics simulation and Voronoi polyhedra analysis study.
Idrissi A; Polok K; Gadomski W; Vyalov I; Agapov A; Kiselev M; Barj M; Jedlovszky P
Phys Chem Chem Phys; 2012 May; 14(17):5979-87. PubMed ID: 22446731
[TBL] [Abstract][Full Text] [Related]
5. Voids and necks in liquid ammonia and their roles in diffusion of ions of varying size.
Chakraborty D; Chandra A
J Comput Chem; 2012 Mar; 33(8):843-52. PubMed ID: 22253059
[TBL] [Abstract][Full Text] [Related]
6. Voronoi tessellation of the packing of fine uniform spheres.
Yang RY; Zou RP; Yu AB
Phys Rev E Stat Nonlin Soft Matter Phys; 2002 Apr; 65(4 Pt 1):041302. PubMed ID: 12005816
[TBL] [Abstract][Full Text] [Related]
7. Insight to the Local Structure of Mixtures of Imidazolium-Based Ionic Liquids and Molecular Solvents from Molecular Dynamics Simulations and Voronoi Analysis.
Dudariev D; Koverga V; Kalugin O; Miannay FA; Polok K; Takamuku T; Jedlovszky P; Idrissi A
J Phys Chem B; 2023 Mar; 127(11):2534-2545. PubMed ID: 36892904
[TBL] [Abstract][Full Text] [Related]
8. Voronoi space division of a polymer: topological effects, free volume, and surface end segregation.
Tokita N; Hirabayashi M; Azuma C; Dotera T
J Chem Phys; 2004 Jan; 120(1):496-505. PubMed ID: 15267311
[TBL] [Abstract][Full Text] [Related]
9. The local environment of the molecules in water-DMSO mixtures, as seen from computer simulations and Voronoi polyhedra analysis.
Idrissi A; Marekha B; Kiselev M; Jedlovszky P
Phys Chem Chem Phys; 2015 Feb; 17(5):3470-81. PubMed ID: 25533427
[TBL] [Abstract][Full Text] [Related]
10. Supercritical ammonia: a molecular dynamics simulation and vibrational spectroscopic investigation.
Tassaing T; Soetens JC; Vyalov I; Kiselev M; Idrissi A
J Chem Phys; 2010 Dec; 133(21):214505. PubMed ID: 21142306
[TBL] [Abstract][Full Text] [Related]
11. Role of local structure on motions on the potential energy landscape for a model supercooled polymer.
Jain TS; de Pablo JJ
J Chem Phys; 2005 May; 122(17):174515. PubMed ID: 15910053
[TBL] [Abstract][Full Text] [Related]
12. The volume of atoms on the protein surface: calculated from simulation, using Voronoi polyhedra.
Gerstein M; Tsai J; Levitt M
J Mol Biol; 1995 Jun; 249(5):955-66. PubMed ID: 7540695
[TBL] [Abstract][Full Text] [Related]
13. Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations.
Qvist J; Schober H; Halle B
J Chem Phys; 2011 Apr; 134(14):144508. PubMed ID: 21495765
[TBL] [Abstract][Full Text] [Related]
14. Attractive and repulsive interactions among methanol molecules in supercritical state investigated by Raman spectroscopy and perturbed hard-sphere theory.
Saitow K; Sasaki J
J Chem Phys; 2005 Mar; 122(10):104502. PubMed ID: 15836327
[TBL] [Abstract][Full Text] [Related]
15. Short-range and long-range solvent effects on charge-transfer-to-solvent transitions of I- and K+I- contact ion pair dissolved in supercritical ammonia.
Sciaini G; Fernández-Prini R; Estrin DA; Marceca E
J Chem Phys; 2007 May; 126(17):174504. PubMed ID: 17492871
[TBL] [Abstract][Full Text] [Related]
16. Unique diffusion behavior observed in supercritical ethanol.
Ghosh SK; Tsujii K
J Chem Phys; 2010 Apr; 132(14):144503. PubMed ID: 20405997
[TBL] [Abstract][Full Text] [Related]
17. 3D Characterization of the Molecular Neighborhood of
Kazmierczak L; Szala-Rearick J; Swiatla-Wojcik D
Int J Mol Sci; 2023 Feb; 24(4):. PubMed ID: 36834704
[TBL] [Abstract][Full Text] [Related]
18. Partial molar volume and solvation structure of naphthalene in supercritical carbon dioxide: a Monte Carlo simulation study.
Stubbs JM; Drake-Wilhelm DD; Siepmann JI
J Phys Chem B; 2005 Oct; 109(42):19885-92. PubMed ID: 16853571
[TBL] [Abstract][Full Text] [Related]
19. Widom Line in Supercritical Water in Terms of Changes in Local Structure: Theoretical Perspective.
Shagurin A; Miannay FA; Kiselev MG; Jedlovszky P; Affouard F; Idrissi A
J Phys Chem Lett; 2024 Jun; 15(22):5831-5837. PubMed ID: 38787641
[TBL] [Abstract][Full Text] [Related]
20. Low-frequency Raman spectra of sub- and supercritical CO2: qualitative analysis of the diffusion coefficient behavior.
Idrissi A; Longelin S; Damay P; Leclercq F
J Chem Phys; 2005 Sep; 123(9):94501. PubMed ID: 16164347
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]