Hydration strongly affects the molecular and electronic structure of membrane phospholipids

Journal of Chemical Physics

Volumn 136, Issue 11, 2012, Pages

  Mashaghi, Alireza ^a   Partovi Azar, P ^b,c   Jadidi, Tayebeh ^b   Nafari, Nasser ^c   Maass, Philipp ^b   Tabar, M Reza Rahimi ^b,d   Bonn, Mischa ^e   Bakker, Huib J ^a  

^a FOM INSTITUTE AMOLF   (Netherlands)

^b UNIVERSITY OF OSNABRÜCK   (Germany)

^c INSTITUTE FOR RESEARCH IN FUNDAMENTAL SCIENCES IPM   (Iran)

^d SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

^e MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; DEGREES OF HYDRATION; LINEAR SCALING; MEMBRANE PHOSPHOLIPIDS; PHOSPHATIDYLCHOLINE; QUADRUPOLE MOMENTS; SINGLE-MOLECULE; STRUCTURAL UNIT;

DIMERS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MONOLAYERS; PHOSPHOLIPIDS;

HYDRATION;

PHOSPHATIDYLCHOLINE; WATER;

ARTICLE; ARTIFICIAL MEMBRANE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; QUANTUM THEORY;

ELECTRONS; MEMBRANES, ARTIFICIAL; MOLECULAR STRUCTURE; PHOSPHATIDYLCHOLINES; QUANTUM THEORY; WATER;

EID: 84859241561     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3694280     Document Type: Article

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45. See supplementary material at http://dx.doi.org/10.1063/1.3694280 E-JCPSA6-136-025212 for the structural parameters (Table S1, S2), eDOS (Fig. S1, Table S4), electric quadrupoles (Table S3), and the details of calculations (methods SM1, SM2).