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n-Dodecane Evaporation/Condensation: A Comparative Quantum Chemical Study
Rasoul Nasiri, V.M. Gun'ko,
Sergei Sazhin
University of Brighton
Advanced Engineering Centre
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Dive into the research topics of 'n-Dodecane Evaporation/Condensation: A Comparative Quantum Chemical Study'. Together they form a unique fingerprint.
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Keyphrases
Anharmonicity Effects
14%
Bond Energy
14%
Cc-pVTZ
14%
Condensation Coefficient
14%
Condensation Process
14%
Conformational Dynamics
14%
Conformational Effect
14%
Continuum Solvent Model
14%
CP2K
14%
Dynamic Effects
14%
Electronic Model
14%
Electronic Program
14%
Evaporation Rate
42%
Evaporation Time
14%
Evaporation-condensation
100%
Gas Phase
57%
Gaussian 09
14%
Gibbs Free Energy
42%
Heat Transfer
14%
Internal Dynamics
28%
Liquid Phase
42%
Microdroplet
14%
Molecular Dynamics
14%
N-Dodecane
100%
Nanodroplets
28%
Order of Magnitude
14%
Quantum Chemical DFT Calculations
14%
Quantum Chemical Methods
14%
Quantum Chemistry
100%
Rotational Dynamics
14%
Temperature Effect
14%
Torsional Dynamics
14%
Torsional Effect
14%
Underground Physics
14%
Vibrational Dynamics
14%
Vibrational Effects
14%
Chemistry
Anharmonicity
14%
Bond Energy
14%
Chemistry
14%
Condensation
100%
Conformational Isomer
71%
Density Functional Theory
14%
Dodecane
100%
Gaussian Distribution
14%
Gibbs Free Energy
42%
Molecular Dynamics
14%
Statistical Ensemble
14%