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Systematic sequences of geometric relativistic basis sets. I: s- and p-block elements up to Xe
(SpringerNew YorkEUA, 2006)
Polynomial expansion of basis sets: Alternatives to fully optimized exponents
(Elsevier Science BvAmsterdamHolanda, 2006)
Theoretical study of the XP3 (X = Al, B, Ga) clusters
(ELSEVIER SCIENCE BVAMSTERDAM, 2012)
The lowest singlet and triplet states of AlP3, GaP3 and BP3 molecules with C-s, C-2v and C-3v symmetries were characterized using the B3LYP functional and the aug-cc-pVTZ and aug-cc-pVQZ correlated consistent basis sets. ...
Basis set effects on B3LYP geometries and energies: case study of interstellar reaction HN=CH2 + •C≡N → H2N-C(•)H-C≡N
(2002)
To facilitate a rational basis set selection for B3LYP studies of organic reactions in the interstellar medium, we analyzed energetic parameters for the main stationary points in the reaction HN=CH2 + •C≡N → H2N-C(•)H-C≡N ...
Theoretical study of the XP3 (X = Al, B, Ga) clusters
(Elsevier B.V., 2012-05-03)
The lowest singlet and triplet states of AlP3, GaP3 and BP3 molecules with C-s, C-2v and C-3v symmetries were characterized using the B3LYP functional and the aug-cc-pVTZ and aug-cc-pVQZ correlated consistent basis sets. ...
CAN THE LINEAR COMBINATION OF ATOMIC ORBITAL COEFFICIENTS (THE WEIGHT FUNCTION) BE USED TO IMPROVE THE WAVE-FUNCTION
(Elsevier Science BvAmsterdamHolanda, 1993)
Geometric constraint subsets and subgraphs in the analysis of assemblies and mechanisms
(Universidad EAFIT, 2006-03)
Geometric Reasoning ability is central to many applications in CAD/CAM/CAPP environments -- An increasing demand exists for Geometric Reasoning systems which evaluate the feasibility of virtual scenes specified by geometric ...
Algebraic geometry and group theory in geometric constraint satisfaction for computer-aided design and assembly planning
(Taylor & Francis, 1996)
Mechanical design and assembly planning inherently involve geometric constraint satisfaction or scene feasibility (GCS/SF) problems -- Such problems imply the satisfaction of proposed relations placed between undefined ...
Adapted hyperbolic polygons and symplectic representations for group actions on Riemann surfaces
(Elsevier, 2013-03)
We prove that given a finite group G together with a set of fixed geometric generators, there is a family of special hyperbolic polygons that uniformize the Riemann surfaces admitting the action of G with the given geometric ...