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Volumn 26, Issue 11, 2010, Pages 8301-8308

Beyond Cassie's law: A theoretical and experimental study of mixed alkyl monolayers

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED WATER; ALKYL MONOLAYERS; ATOMIC FORCE SPECTROSCOPY; CASSIE'S LAW; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; ESTER GROUPS; EXPERIMENTAL STUDIES; HYDROPHILIC GROUPS; LINEAR REGIME; MICROSCOPIC CHARACTERISTICS; MICROSCOPIC SCALE; MIXED MONOLAYERS; MONTE CARLO SIMULATION; STATISTICAL DISTRIBUTION; WATER MOLECULE;

EID: 77954549305     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la9046935     Document Type: Article
Times cited : (6)

References (53)
  • 25
    • 77954546022 scopus 로고    scopus 로고
    • a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from
    • TURBOMOLE V5.8 2005, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com.
    • (2005) TURBOMOLE V5.8 2005
  • 47
    • 77954550686 scopus 로고    scopus 로고
    • Also higher number of ester groups with different geometries were calculated showing only small deviations from the interaction energies of two ester groups
    • Also higher number of ester groups with different geometries were calculated showing only small deviations from the interaction energies of two ester groups.
  • 51
    • 77954547078 scopus 로고    scopus 로고
    • It should be noted that this is an average value over all water molecules of the solvent shell. The binding energy of the first water molecule is calculated to be approximately 30 kJ/mol, which is in good agreement with binding energies of water to comparable systems, see for example, ref 49. The binding energies of additional water molecules are larger as they can form two hydrogen bonds
    • It should be noted that this is an average value over all water molecules of the solvent shell. The binding energy of the first water molecule is calculated to be approximately 30 kJ/mol, which is in good agreement with binding energies of water to comparable systems, see for example, ref 49. The binding energies of additional water molecules are larger as they can form two hydrogen bonds.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.