Structure and dynamics of water dangling OH bonds in hydrophobic hydration shells. Comparison of simulation and experiment

Journal of Physical Chemistry A

Volumn 115, Issue 23, 2011, Pages 6177-6183

  Tomlinson Phillips, Jill ^a   Davis, Joel ^a   Ben Amotz, Dor ^a   Spångberg, Daniel ^b   Pejov, Ljupčo ^b,c   Hermansson, Kersti ^b  

^a PURDUE UNIVERSITY   (United States)

^b UPPSALA UNIVERSITY   (Sweden)

^c SS CYRIL AND METHODIUS UNIVERSITY   (Macedonia)

Author keywords

[No Author keywords available]

Indexed keywords

BULK WATER; CARBON ATOMS; ELECTRIC FIELD STRENGTH; HIGH FREQUENCY HF; HYDRATION SHELL; HYDROPHOBIC HYDRATION; MULTIVARIATE CURVE RESOLUTION; NEOPENTANE; O-H BOND; OH GROUP; OH-GROUPS; SIMULATION RESULT; STRUCTURE AND DYNAMICS; VARIABLE CONCENTRATION; VIBRATIONAL PROPERTIES;

ELECTRIC FIELDS; ELECTRIC PROPERTIES; HYDRATION; MOLECULAR DYNAMICS; PARAFFINS; RAMAN SPECTROSCOPY; SHELLS (STRUCTURES);

DANGLING BONDS;

HYDROXYL RADICAL; WATER;

ARTICLE; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; MOLECULAR DYNAMICS; THERMODYNAMICS;

HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; HYDROXYL RADICAL; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; THERMODYNAMICS; WATER;

EID: 79959972718     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp111346s     Document Type: Article

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