Molecular conformation of n-alkanes using terrain/funneling methods

Journal of Global Optimization

Volumn 43, Issue 2-3, 2009, Pages 429-444

  Gattupalli, Rajeswar R ^a   Lucia, Angelo ^a  

^a University of Rhode Island   (United States)

Author keywords

Fuel oils; Funneling methods; Multi scale global optimization; N alkane molecular conformation; Terrain methods

Indexed keywords

ATOMIC PHYSICS; BOUNDARY LAYER FLOW; CRYSTAL ATOMIC STRUCTURE; FUEL OILS; FUELS; GLOBAL OPTIMIZATION; HYDROCARBONS; OPTIMIZATION; PARAFFINS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RESIDUAL FUELS;

AVERAGE GRADIENTS; COMPUTATIONAL RESULTS; CONFORMATIONAL CHANGES; DERIVATIVE INFORMATIONS; ENERGY SURFACES; FUNNELING METHODS; GLOBAL MINIMUM; HESSIAN MATRICES; LARGE LENGTH-SCALE; LENGTH-SCALE; LOCAL MINIMUMS; MINIMUM ENERGIES; MULTI-SCALE GLOBAL OPTIMIZATION; N-ALKANE MOLECULAR CONFORMATION; NUMERICAL RESULTS; OBJECTIVE FUNCTION VALUES; OPTIMIZATION METHODOLOGIES; PETROLEUM FUELS; RESIDUAL FUEL OIL; SADDLE POINTS; TERRAIN METHODS; UNITED ATOMS; ZIGZAG CONFORMATIONS; ZIGZAG STRUCTURES;

CONFORMATIONS;

EID: 59449099935     PISSN: 09255001     EISSN: 15732916     Source Type: Journal    
DOI: 10.1007/s10898-007-9206-5     Document Type: Article

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