A theoretical investigation of the atmospherically important reaction between chlorine atoms and formic acid: Determination of the reaction mechanism and calculation of the rate coefficient at different temperatures

Molecular Physics

Volumn 113, Issue 13-14, 2015, Pages 1511-1533

  Ng, Maggie ^a   Mok, Daniel K W ^a   Lee, Edmond P F ^a,b   Dyke, John M ^b  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

^b UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

Author keywords

ab initio calculation; atmospheric chemistry; Cl + HCOOH; rate coefficient calculation; transition state theory calculation

Indexed keywords

ABSTRACTING; ATMOSPHERIC CHEMISTRY; ATMOSPHERIC TEMPERATURE; BOUNDARY LAYERS; CALCULATIONS; CHLORINE; ELECTRONIC STATES; FORMIC ACID; MOLECULES; PERTURBATION TECHNIQUES; SURFACE REACTIONS;

AB INITIO CALCULATIONS; HYDROGEN ABSTRACTION; MARINE BOUNDARY LAYERS; PLESSET PERTURBATION THEORY; RATE COEFFICIENTS; THEORETICAL INVESTIGATIONS; TRANSITION STATE THEORIES; VARIATIONAL TRANSITION STATE THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 84937680118     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2014.980448     Document Type: Article

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