(Q58738829)

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Heat of atomization of sulfur trioxide, SO3: a benchmark for computational thermochemistry

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Heat of atomization of sulfur trioxide, SO3: a benchmark for computational thermochemistry (English)

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Jan M.L Martin

1

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publication date

September 1999

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published in

Chemical Physics Letters

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volume

310

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page(s)

271-276

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issue

3-4

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cites work

Rigorous interpretation of electronic wave functions. 2. Electronic structures of selected phosphorus, sulfur, and chlorine fluorides and oxides

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7 January 2021

Revised Heat of Formation for Gaseous Boron: Basis Set Limit ab Initio Binding Energies of BF3and BF

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7 January 2021

A Definitive Heat of Vaporization of Silicon through Benchmarkab InitioCalculations on SiF4

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7 January 2021

Basis set convergence in second-row compounds. The importance of core polarization functions

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7 January 2021

Basis set convergence study of the atomization energy, geometry, and anharmonic force field of SO2: The importance of inner polarization functions

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7 January 2021

Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory

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7 January 2021

A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

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7 January 2021

A fifth-order perturbation comparison of electron correlation theories

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A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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Basis set convergence for geometry and harmonic frequencies. Are h functions enough?

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A fully ab initio quartic force field of spectroscopic quality for SO3

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Basis-set convergence in correlated calculations on Ne, N2, and H2O

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7 January 2021

Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds

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7 January 2021

Gaussian-3 (G3) theory for molecules containing first and second-row atoms

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Density-functional thermochemistry. III. The role of exact exchange

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7 January 2021

Identifiers

DOI

10.1016/S0009-2614(99)00749-6

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arXiv ID

physics/9907007

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(Q58738829)

Heat of atomization of sulfur trioxide, SO3: a benchmark for computational thermochemistry

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