Multi-scale simulation of the thermal desorption of large molecules from solid surfaces

2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002

Volumn , Issue , 2002, Pages 156-158

  Fichthorn, K A ^a   Miron, R A ^a   Kulkarni, A ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Molecular Dynamics; Theory; Thermal Desorption; Transition State

Indexed keywords

ADSORPTION; BINDING ENERGY; CHEMICAL BONDS; COMPUTER SIMULATION; CONFORMATIONS; DEPOSITION; DESORPTION; ENTROPY; MATHEMATICAL MODELS; SAMPLING; SPECTRUM ANALYSIS; THERMAL EFFECTS; VAN DER WAALS FORCES;

MULTI-SCALE SIMULATIONS; THERMAL DESORPTION; TRANSITION-STATE THEORY (TST); VAN DER WAALS DISPERSIONS;

MOLECULAR DYNAMICS;

EID: 6344262054     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

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