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Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 05/2013, Volume 3, Issue 3, pp. 273 - 295
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2010, Volume 133, Issue 13, pp. 134105 - 134105-11
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 02/2017, Volume 13, Issue 2, pp. 554 - 562
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 11/2008, Volume 129, Issue 18, pp. 184108 - 184108-7
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2007, Volume 127, Issue 11, p. 114105
We present a library of Gaussian basis sets that has been specifically optimized to perform accurate molecular calculations based on density functional theory.... 
PSEUDOPOTENTIALS | APPROXIMATION | POLARIZED ATOMIC ORBITALS | CONSISTENT BASIS-SETS | DENSITY-FUNCTIONAL CALCULATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LIQUID WATER | DYNAMICS | REDOX PROPERTIES | ELECTRONIC-STRUCTURE CALCULATIONS | 1ST PRINCIPLES
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 01/2013, Volume 113, Issue 1, pp. 21 - 34
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 01/2015, Volume 11, Issue 1, pp. 132 - 138
A family of segmented contracted basis sets is proposed, denoted pcSseg-n, which are optimized for calculating nuclear magnetic shielding constants. For the... 
ANO BASIS-SETS | 3RD-ROW ATOMS | LEVEL-CORRELATED CALCULATIONS | CONSISTENT BASIS-SETS | NMR CHEMICAL-SHIFTS | SPIN COUPLING-CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | MOLECULAR WAVE-FUNCTIONS | ZETA-VALENCE QUALITY | GAUSSIAN-BASIS SETS | POLARIZED BASIS-SETS
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 03/2010, Volume 6, Issue 3, pp. 597 - 601
Eliminating all but the s and p diffuse functions on the non-hydrogenic atoms and all diffuse functions on the hydrogen atoms from the aug-cc-pV(x+d)Z basis... 
ELEMENTS | THERMOCHEMICAL KINETICS | APPROXIMATION | CONSISTENT BASIS-SETS | BEHAVIOR | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | APPLICABILITY | CHEMISTRY, PHYSICAL | BARRIER HEIGHTS | FORCE-FIELDS | ENERGIES | EXCHANGE
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 11/2012, Volume 33, Issue 30, pp. 2380 - 2387
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 09/2005, Volume 7, Issue 18, pp. 3297 - 3305
Journal Article