An exploration of the ozone dimer potential energy surface

Journal of Chemical Physics

Volumn 140, Issue 24, 2014, Pages

  Azofra, Luis Miguel ^a   Alkorta, Ibon ^a   Scheiner, Steve ^b  

^a INSTITUTO DE QUÍMICA MÉDICA   (Spain)

^b UTAH STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DIMERS; MOLECULAR PHYSICS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

ANTISYMMETRIC STRETCHING MODE; ATOMS-IN-MOLECULES ANALYSIS; BONDING INTERACTIONS; COMPUTATIONAL LEVEL; ELECTROSTATIC ENERGIES; INTERACTION ENERGIES; OVERALL STABILITIES; STATIONARY POINTS;

POTENTIAL ENERGY;

OZONE; POLYMER;

CHEMISTRY; DIMERIZATION; QUANTUM THEORY; THERMODYNAMICS; VIBRATION;

DIMERIZATION; OZONE; POLYMERS; QUANTUM THEORY; THERMODYNAMICS; VIBRATION;

EID: 84903725144     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4884962     Document Type: Article

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61. 2 dimers can be found. Also, Figures S1 and S2 contain minima and saddle points and the imaginary frequency motions for the TSs.