共 43 条
- [1] Basis set convergence in second-row compounds. The importance of core polarization functionsCHEMICAL PHYSICS LETTERS, 1998, 282 (01) : 16 - 24Martin, JMLUzan, O
- [2] Bond dissociation energies in second-row compoundsJOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (14): : 3145 - 3156Grant, Daniel J.Matus, Myrna H.Switzer, Jackson R.Dixon, David A.Francisco, Joseph S.Christe, Karl O.
- [3] GAUSSIAN BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING SECOND-ROW ATOMSTHEORETICA CHIMICA ACTA, 1968, 12 (05): : 405 - &VEILLARD, A
- [5] Effects of basis set choice upon the atomization energy of the second-row compounds SO2, CCl, and ClO2 for B3LYP and B3PW91JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (34): : 6720 - 6724Wang, NXWilson, AK
- [6] Basis Set and Correlation Effects on Geometry of Octahedral Second-Row Transition-Metal ComplexesInternational Journal of Quantum Chemistry, 60 (07):Broo, A.
- [7] SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST-ROW AND SECOND-ROW ATOMSJOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01): : 451 - &HUZINAGA, SARNAU, C
- [8] SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST- + SECOND-ROW ATOMSJOURNAL OF CHEMICAL PHYSICS, 1964, 40 (07): : 1944 - &CLEMENTI, E
- [9] Assessment of basis set and functional dependencies in density functional theory: Studies of atomization and reaction energiesJOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (10): : 1927 - 1934Martell, JMGoddard, JDEriksson, LA
- [10] Generator coordinate Hartree-Fock method applied to the choice of a contracted Gaussian basis for the second-row atomsINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1997, 63 (05) : 927 - 934Pinheiro, JCDaSilva, ABFTrsic, M