Identification of isolated cavity features within molecular dynamics simulated chromatographic surfaces

Journal of Chromatography A

Volumn 1128, Issue 1-2, 2006, Pages 79-89

  Lippa, Katrice A ^a   Sander, Lane C ^a  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

Alkylsilanes; Molecular surface area; Monomeric; Polymeric; Reversed phase liquid chromatography (RPLC); Shape selectivity; trans conformation

Indexed keywords

ALKYLSILANES; MOLECULAR SURFACE AREA; REVERSED PHASE LIQUID CHROMATOGRAPHY (RPLC); SHAPE SELECTIVITY; TRANS CONFORMATION;

LIQUID CHROMATOGRAPHY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; SILICA; SURFACE TREATMENT;

MOLECULAR STRUCTURE;

SILICON DIOXIDE;

ANALYTIC METHOD; ARTICLE; CHEMICAL BOND; CHROMATOGRAPHY; COMPUTER MODEL; COMPUTER PREDICTION; COMPUTER SIMULATION; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; PARTICLE SIZE; PHASE SEPARATION; PRIORITY JOURNAL; REVERSED PHASE HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; STRUCTURE ANALYSIS; SURFACE PROPERTY; TEMPERATURE DEPENDENCE;

ADSORPTION; CHROMATOGRAPHY, LIQUID; COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SILANES; SURFACE PROPERTIES;

EID: 33747874440     PISSN: 00219673     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chroma.2006.06.043     Document Type: Article

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