Browsing by Author Menon, Ambili

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Issue DateTitleAuthor(s)Citation
2007Bond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical proceduresMenon, Ambili; Moran, Damian; Radom, Leo; Wood, Geoffrey; Chemistry; Chemistry; Chemistry; ChemistryBond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical procedures, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.111,(51),2007,pp 13638-13644
2008Consequences of Spin Contamination in Unrestricted Calculations on Open-Shell Species: Effect of Hartree-Fock and Møller-Plesset Contributions in Hybrid and Double-Hybrid Density Functional Theory ApproachesMenon, Ambili; Radom, Leo; Chemistry; ChemistryConsequences of Spin Contamination in Unrestricted Calculations on Open-Shell Species: Effect of Hartree-Fock and Møller-Plesset Contributions in Hybrid and Double-Hybrid Density Functional Theory Approaches, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.112, 50, 2008,pp 13225-13230
2011Effect of substituents on the stabilities of multiply-substituted caron-centered radicalsMenon, Ambili; Radom, Leo; Bally, Thomas; Henry, David; Chemistry; ChemistryEffect of substituents on the stabilities of multiply-substituted caron-centered radicals, Organic & Biomolecular Chemistry, vol.9, 10, 2011,pp 3636-3657
2012Influence of connector groups on the interactions of substituents with carbon-centered radicalsMenon, Ambili; Radom, Leo; Bally, Thomas; Chemistry; ChemistryInfluence of connector groups on the interactions of substituents with carbon-centered radicals, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.116, 41, 2012,pp 10203-10208
2009Optimization and basis-set dependence of a restricted-open-shell form of B2-PLYP double-hybrid density functional theoryGoerigk, Lars; Graham, David; Menon, Ambili; Radom, Leo; Grimme, Stefan; Chemistry; Chemistry; Chemistry; ChemistryOptimization and basis-set dependence of a restricted-open-shell form of B2-PLYP double-hybrid density functional theory, Journal of Physical Chemistry Part A, vol.113,(36),2009,pp 9861-9873
2011Spectroscopy and thermochemistry of a jet-cooled open-shell polyene: 1,4-pentadienyl radicalBacskay, George; Chalyavi, Nahid; Davis, Nathaniel; Menon, Ambili; Radom, Leo; Schmidt, Timothy; Troy, Tyler; Reid, Scott A; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; ChemistrySpectroscopy and thermochemistry of a jet-cooled open-shell polyene: 1,4-pentadienyl radical, Journal of Chemical Physics, vol.135, 12, 2011,pp 124306-1-124306-7
2011The spectroscopy and thermochemistry of phenylallyl radical chromophoresChalyavi, Nahid; Fuckel, Burkhard; Menon, Ambili; Nauta, Bauke Klaas; O'Connor, Gerard; Radom, Leo; Schmidt, Timothy; Troy, Tyler; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; ChemistryThe spectroscopy and thermochemistry of phenylallyl radical chromophores, Chemical Science, vol.2, 9, 2011,pp 1755-1765