W3 theory: robust computational thermochemistry in the kJ/mol accuracy range

scientific article

W3 theory: robust computational thermochemistry in the kJ/mol accuracy range is …
instance of (P31):
scholarly articleQ13442814

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P818arXiv IDphysics/0311067
P356DOI10.1063/1.1638736
P698PubMed publication ID15268579
P5875ResearchGate publication ID8440157

P50authorMihaly KallayQ58749048
P2093author name stringJan M L Martin
A Daniel Boese
Jurgen Gauss
Mikhal Oren
Onur Atasoylu
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Basis-set convergence in correlated calculations on Ne, N2, and H2OQ56813616
Heats of Formation of Alkali Metal and Alkaline Earth Metal Oxides and Hydroxides: Surprisingly Demanding Targets for High-Level ab Initio ProceduresQ58738712
Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinitiesQ58738760
Heat of atomization of sulfur trioxide, SO3: a benchmark for computational thermochemistryQ58738829
Electron affinities of the first- and second-row atoms: Benchmark ab initio and density-functional calculationsQ58738834
Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theoryQ58738838
A Definitive Heat of Vaporization of Silicon through Benchmark ab Initio Calculations on SiF4Q58738841
Spectroscopic quality ab initio potential curves for CH, NH, OH and HF. A convergence studyQ58738872
Basis set convergence study of the atomization energy, geometry, and anharmonic force field of SO2: The importance of inner polarization functionsQ58738902
Ab initio total atomization energies of small molecules — towards the basis set limitQ58739003
An accurate ab initio quartic force field for ammoniaQ58739197
P433issue9
P407language of work or nameEnglishQ1860
P304page(s)4129-41
P577publication date2004-03-01
P1433published inJournal of Chemical PhysicsQ900472
P1476titleW3 theory: robust computational thermochemistry in the kJ/mol accuracy range
P478volume120

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