I. M. Alecu
University of North Texas(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Atmospheric chemistry and aerosols, Chemical Thermodynamics and Molecular Structure, Spectroscopy and Laser Applications, Atmospheric Ozone and Climate
Most-Cited Works
- → Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries(2010)1,598 cited
- → Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation(2011)243 cited
- → New Pathways for Formation of Acids and Carbonyl Products in Low-Temperature Oxidation: The Korcek Decomposition of γ-Ketohydroperoxides(2013)184 cited
- → How Well Can Modern Density Functionals Predict Internuclear Distances at Transition States?(2011)171 cited
- → Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 1. Accurate Thermochemistry and Barrier Heights(2011)126 cited
- → Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 2. Accurate Thermal Rate Constants(2011)67 cited
- → A study to establish reasonable action limits for patient‐specific quality assurance in intensity‐modulated radiation therapy(2007)60 cited
- → Thermochemistry Is Not a Lower Bound to the Activation Energy of Endothermic Reactions: A Kinetic Study of the Gas-Phase Reaction of Atomic Chlorine with Ammonia(2006)36 cited
- → Biofuel Combustion. Energetics and Kinetics of Hydrogen Abstraction from Carbon-1 inn-Butanol by the Hydroperoxyl Radical Calculated by Coupled Cluster and Density Functional Theories and Multistructural Variational Transition-State Theory with Multidimensional Tunneling(2012)36 cited
- → Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries(2016)32 cited