Multiple-well isomerization diffusion equation solutions with a shift and invert Lanczos algorithm

Journal of Physical Chemistry A

Volumn 101, Issue 32, 1997, Pages 5765-5769

  Gates, Kevin E ^a   Robertson, Struan H ^b   Smith, Sean C ^a   Pilling, Michael J ^c   Beasley, Martin S ^c   Maschhoff, Kristyn J ^d  

^a UNIVERSITY OF QUEENSLAND   (Australia)

^b Molecular Simulations   (United Kingdom)

^c UNIVERSITY OF LEEDS   (United Kingdom)

^d RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOPROPENE; INVERT LANCZOS ALGORITHM;

ALGORITHMS; APPROXIMATION THEORY; AROMATIC COMPOUNDS; COMPUTER SIMULATION; DIFFUSION IN GASES; EIGENVALUES AND EIGENFUNCTIONS; MATHEMATICAL MODELS; OLEFINS;

ISOMERIZATION;

EID: 0031558344     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970481h     Document Type: Article

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