Theoretical study of different solvents and temperatures effects on single-walled carbon nanotube and temozolomide drug: A QM/MM study

Fullerenes Nanotubes and Carbon Nanostructures

Volumn 19, Issue 7, 2011, Pages 653-667

  Mollaamin, F ^a   Najafi, F ^b   Khaleghian, M ^c   Hadad, B Khalili ^d   Monajjemi, M ^b  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c ISLAMIC AZAD UNIVERSITY   (Iran)

^d ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

force field; molecular dynamics; quantum mechanics; Solvent effect; SWCNT; temozolomide

Indexed keywords

AB INITIO CALCULATIONS; ANTICANCER DRUG; DIFFERENT SOLVENTS; FORCE FIELDS; GASPHASE; GAUSSIAN 98; HARTREE-FOCK METHODS; HARTREE-FOCK THEORY; INVESTIGATE EFFECTS; ONSAGER; SELF-CONSISTENT REACTION FIELDS; SINGLE-WALLED CARBON; SOLVENT EFFECT; SWCNT; TEMOZOLOMIDE; THEORETICAL STUDY;

COMPUTATIONAL CHEMISTRY; DRUG INTERACTIONS; GASES; INVESTMENTS; MECHANICS; METHANOL; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; QUANTUM THEORY; REACTION KINETICS; SOLVENTS;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 79960492157     PISSN: 1536383X     EISSN: 15364046     Source Type: Journal    
DOI: 10.1080/1536383X.2010.504956     Document Type: Article

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