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Volumn 115, Issue 13, 2001, Pages 6266-6267
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Test of variational transition state theory with multidimensional tunneling contributions against an accurate full-dimensional rate constant calculation for a six-atom system
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Author keywords
[No Author keywords available]
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Indexed keywords
APPROXIMATION THEORY;
CALCULATIONS;
ELECTRON TUNNELING;
GROUND STATE;
HYDROGEN;
METHANE;
OPTIMIZATION;
PHASE TRANSITIONS;
POTENTIAL ENERGY;
RATE CONSTANTS;
SURFACES;
CANONICAL VARIATIONAL THEORY;
JORDAN GILBERT SURFACE;
OPTIMIZED MULTIDIMENSIONAL TUNNELING;
VARIATIONAL TRANSITION STATE THEORY;
MOLECULAR DYNAMICS;
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EID: 0035473838
PISSN: 00219606
EISSN: None
Source Type: Journal
DOI: 10.1063/1.1398581 Document Type: Letter |
Times cited : (55)
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References (38)
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