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Results: 1-9 |
Results: 9
A systematic study of the reactions of OH- with chlorinated methanes. 1. Benchmark studies of the gas-phase reactions
Authors: Borisov, YA Arcia, EE Mielke, SL Garrett, BC Dunning, TH
Citation: Ya. Borisov et al., A systematic study of the reactions of OH- with chlorinated methanes. 1. Benchmark studies of the gas-phase reactions, J PHYS CH A, 105(32), 2001, pp. 7724-7736
Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited
Authors: Dunning, TH Peterson, KA Wilson, AK
Citation: Th. Dunning et al., Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited, J CHEM PHYS, 114(21), 2001, pp. 9244-9253
A road map for the calculation of molecular binding energies
Authors: Dunning, TH
Citation: Th. Dunning, A road map for the calculation of molecular binding energies, J PHYS CH A, 104(40), 2000, pp. 9062-9080
Ab initio characterization of the HCOx (x = -1, 0, +1) species: Structures, vibrational frequencies, CH pond dissociation energies, and HCO ionization potential and electron affinity
Authors: van Mourik, T Dunning, TH Peterson, KA
Citation: T. Van Mourik et al., Ab initio characterization of the HCOx (x = -1, 0, +1) species: Structures, vibrational frequencies, CH pond dissociation energies, and HCO ionization potential and electron affinity, J PHYS CH A, 104(11), 2000, pp. 2287-2293
Approximating the basis set dependence of coupled cluster calculations: Evaluation of perturbation theory approximations for stable molecules
Authors: Dunning, TH Peterson, KA
Citation: Th. Dunning et Ka. Peterson, Approximating the basis set dependence of coupled cluster calculations: Evaluation of perturbation theory approximations for stable molecules, J CHEM PHYS, 113(18), 2000, pp. 7799-7808
Gaussian basis sets for use in correlated molecular calculations. VIII. Standard and augmented sextuple zeta correlation consistent basis sets for aluminum through argon
Authors: Van Mourik, T Dunning, TH
Citation: T. Van Mourik et Th. Dunning, Gaussian basis sets for use in correlated molecular calculations. VIII. Standard and augmented sextuple zeta correlation consistent basis sets for aluminum through argon, INT J QUANT, 76(2), 2000, pp. 205-221
Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He-2, Ne-2 and Ar-2 using correlation consistent basis sets through augmented sextuple zeta
Authors: Van Mourik, T Wilson, AK Dunning, TH
Citation: T. Van Mourik et al., Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He-2, Ne-2 and Ar-2 using correlation consistent basis sets through augmented sextuple zeta, MOLEC PHYS, 96(4), 1999, pp. 529-547
A new ab initio potential energy curve for the helium dimer
Authors: van Mourik, T Dunning, TH
Citation: T. Van Mourik et Th. Dunning, A new ab initio potential energy curve for the helium dimer, J CHEM PHYS, 111(20), 1999, pp. 9248-9258
Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton
Authors: Wilson, AK Woon, DE Peterson, KA Dunning, TH
Citation: Ak. Wilson et al., Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton, J CHEM PHYS, 110(16), 1999, pp. 7667-7676
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