Results 251 to 260 of about 3,475,337 (269)

Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements

Journal of Physical Chemistry A, 2001
Thomas Gilbert, Catherine E Check, Lee S Sunderlin   +2 more
exaly  

Efficient Diffuse Basis Sets: cc-pVxZ+ and maug-cc-pVxZ

Journal of Chemical Theory and Computation, 2009
Donald G Truhlar, Jingjing Zheng, Hannah R Leverentz   +2 more
exaly  

Minimally augmented Karlsruhe basis sets

Theoretical Chemistry Accounts, 2010
Xuefei Xu, Donald G Truhlar, Jingjing Zheng   +2 more
exaly  

Convergent Partially Augmented Basis Sets for Post-Hartree−Fock Calculations of Molecular Properties and Reaction Barrier Heights

Journal of Chemical Theory and Computation, 2011
Donald G Truhlar, Ewa Papajak
exaly  

6-31G* basis set for third-row atoms

Journal of Computational Chemistry, 2001
Mark Ratner, Vitaly Rassolov
exaly  

All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms

Journal of Chemical Theory and Computation, 2008
Clark Landis, Dimitrios A Pantazis, Frank Neese   +2 more
exaly  

Can the Counterpoise Correction for Basis Set Superposition Effect Be Justified?

Journal of Chemical Theory and Computation, 2014
Evert Jan Baerends
exaly  

Auxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials

Theoretical Chemistry Accounts, 1997
Florian Weigend, Weigend Florian, Ahlrichs Reinhart   +2 more
exaly  

Consistent Gaussian basis sets of triple‐zeta valence with polarization quality for solid‐state calculations

Journal of Computational Chemistry, 2013
Michael Florian Peintinger, Thomas Bredow   +1 more
exaly  

THE STRUCTURAL BASIS OF THE BODY

The Australasian Journal of Optometry, 1934
openaire   +1 more source