Improved model for fullerene C60 solubility in organic solvents based on quantum-chemical and topological descriptors

Journal of Nanoparticle Research

Volumn 13, Issue 8, 2011, Pages 3235-3247

  Petrova, Tetyana ^a   Rasulev, Bakhtiyor F ^a   Toropov, Andrey A ^b   Leszczynska, Danuta ^c   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^c Jackson State University   (United States)

Author keywords

C60; DFT; Fullerene; Modeling and simulation; Predictive method; QSPR; Quantum chemical descriptors; Solubility

Indexed keywords

C60; DESCRIPTORS; DFT; MODELING AND SIMULATION; PREDICTIVE METHODS; QSPR;

C (PROGRAMMING LANGUAGE); CALCULATIONS; COMPUTER SIMULATION; FULLERENES; GENETIC ALGORITHMS; MOLECULAR ORBITALS; ORGANIC COMPOUNDS; ORGANIC SOLVENTS; REGRESSION ANALYSIS; SOLVENTS;

SOLUBILITY;

FULLERENE; ORGANIC SOLVENT;

AB INITIO CALCULATION; ARTICLE; ATOM; CHEMICAL STRUCTURE; GENETIC ALGORITHM; MULTIPLE REGRESSION; NUCLEOPHILICITY; PREDICTIVE VALUE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; QUANTUM CHEMISTRY; RELIABILITY; SOLUBILITY;

EID: 80051588636     PISSN: 13880764     EISSN: 1572896X     Source Type: Journal    
DOI: 10.1007/s11051-011-0238-x     Document Type: Article

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