Zero-point energy is needed in molecular dynamics calculations to access the saddle point for H+HCN→H2CN* and cis/trans-HCNH* on a new potential energy surface

Journal of Chemical Theory and Computation

Volumn 9, Issue 2, 2013, Pages 901-908

  Wang, Xiaohong ^a   Bowman, Joel M ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84873670920     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct301022q     Document Type: Article

References (29)

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