Accurate ab initio predictions of ionization energies of hydrocarbon radicals: CH2, CH3, C2H, C2H3, C2H5, C3H3, and C3H5.

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Accurate ab initio predictions of ionization energies of hydrocarbon radicals: CH2, CH3, C2H, C2H3, C2H5, C3H3, and C3H5. is …
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scholarly articleQ13442814

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P356DOI10.1063/1.1926274
P698PubMed publication ID15974671
P5875ResearchGate publication ID7768379

P50authorKai-Chung LauQ79248270
P2093author name stringNg CY
P2860cites workTowards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theoryQ58738838
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogenQ26778446
W3 theory: robust computational thermochemistry in the kJ/mol accuracy rangeQ28273304
Gaussian-3 (G3) theory for molecules containing first and second-row atomsQ30051344
Vacuum ultraviolet spectroscopy and chemistry by photoionization and photoelectron methodsQ31049487
Single-photon vacuum-ultraviolet laser-pulsed-field ionization-photoelectron studies of trans- and cis-1-bromopropenesQ33205040
A combined vacuum ultraviolet laser and synchrotron pulsed field ionization study of BCl3.Q33507373
The VUV photochemistry of radicals: C3H3 and C2H5.Q43269303
A high-resolution pulsed field ionization-photoelectron-photoion coincidence study of vinyl bromideQ44988916
Gaussian‐2 theory for molecular energies of first‐ and second‐row compoundsQ56750573
Basis-set convergence in correlated calculations on Ne, N2, and H2OQ56813616
Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinitiesQ58738760
P433issue22
P407language of work or nameEnglishQ1860
P304page(s)224310
P577publication date2005-06-01
P1433published inJournal of Chemical PhysicsQ900472
P1476titleAccurate ab initio predictions of ionization energies of hydrocarbon radicals: CH2, CH3, C2H, C2H3, C2H5, C3H3, and C3H5
P478volume122

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cites work (P2860)
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