Characterization of liquid behaviour by means of local density fluctuations

Journal of Molecular Liquids

Volumn 117, Issue 1-3, 2005, Pages 17-21

  D'Abramo, M ^a   D'Alessandro, M ^a   Di Nola, A ^a   Roccatano, D ^b   Amadei, Andrea ^c  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b JACOBS UNIVERSITY BREMEN   (Germany)

^c UNIVERSITY OF ROME TOR VERGATA   (Italy)

Author keywords

Collective motions; Density fluctuations; Molecular dynamics; Solutions; Water

Indexed keywords

COMPUTER SIMULATION; CORRELATION METHODS; EIGENVALUES AND EIGENFUNCTIONS; FREE ENERGY; HYDRATION; MATHEMATICAL TRANSFORMATIONS; METHANE; MOLECULAR DYNAMICS; PRINCIPAL COMPONENT ANALYSIS; SOLUTIONS; WATER;

COLLECTIVE MOTIONS; DENSITY FLUCTUATIONS; LOCAL DENSITY COVARIANCE (LDC) MATRIX; SOLVATION SHELLS;

FLUID DYNAMICS;

EID: 13444259798     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2004.08.005     Document Type: Conference Paper

References (16)

1. I. Ohmine, and H. Tanaka Chem. Rev. 93 1993 2545 2566
2. I. Ohmine, and S. Saito Acc. Chem. Res. 32 1999 741 749
3. I. Ohmine, H. Tanaka, and P.G. Wolynes J. Chem. Phys. 89 1988 5852
4. G. Garberoglio, D. Pasqualini, G. Sutmann, R.J. Vallauri, Mol. Liq. 96-97 (2002) 19-29.
5. A. Amadei, A.B.M. Linssen, and H.J.C. Berendsen Proteins: Struct., Funct., Genet. 17 1993 412 425
6. A. Amadei, A.B.M. Linssen, B.L. de Groot, and H.J.C. Berendsen A.P. Modelling of Biomolecular Structures and Mechanisms 1995 Kluwer The Netherlands
7. B. de Groot, X. Daura, A.E.J. Mark, and H. Grubmuller J. Mol. Biol. 309 2001 299
8. H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, and J. Hermans B. Pullman Intermolecular Forces 1981 Reidel Dordrecht, The Netherlands
9. T.P. Straatsma, and H.J.C. Berendsen J. Chem. Phys. 89 1988 5876
10. W.L. Jorgensen, J.D. Madura, and C.J. Swenson J. Am. Chem. Soc. 106 1984 6638
11. D. van der Spoel, R. van Drunen, H.J.C. Berendsen, "GRoningen MAchine for Chemical Simulations", Department of Biophysical Chemistry, BIOSON Research Institute, Nijenborgh 4 NL-9717 AG Groningen, 1994, e-mail to gromacs@chem.rug.nl.
12. D.J. Evans, and G.P. Morriss Statistical Mechanics of Nonequilibrium Liquids 1990 Academic Press London
13. A. Amadei, G. Chillemi, M.A. Ceruso, A. Grottesi, and A. Di Nola J. Chem. Phys. 112 2000 9 23
14. M. D'Alessandro, A. Tenenbaum, and A. Amadei J. Phys. Chem., B 106 2002 5050 5057
15. M. D'Alessandro, M. D'Abramo, G. Brancato, A. Di Nola, and A. Amadei J. Phys. Chem. B106 2002 11843 11848
16. T.A. Darden, D. York, and L. Pedersen J. Chem. Phys. 98 1993 10089 10092