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1.
Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort: Theory and implementation.
J Chem Phys
; 158(12): 124121, 2023 Mar 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-37003750
2.
An effective sub-quadratic scaling atomic-orbital reformulation of the scaled opposite-spin RI-CC2 ground-state model using Cholesky-decomposed densities and an attenuated Coulomb metric.
J Chem Phys
; 157(10): 104104, 2022 Sep 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-36109222
3.
A scaled explicitly correlated F12 correction to second-order Møller-Plesset perturbation theory.
J Chem Phys
; 154(4): 044101, 2021 Jan 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-33514114
4.
Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units.
J Chem Phys
; 141(5): 051106, 2014 Aug 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-25106563
5.
Efficient Integral-Direct Methods for Self-Consistent Reduced Density Matrix Functional Theory Calculations on Central and Graphics Processing Units.
J Chem Theory Comput
; 18(7): 4229-4244, 2022 Jul 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-35818791
6.
A combined experimental and theoretical study on the formation of interstellar C3H isomers.
Science
; 274(5292): 1508-11, 1996 Nov 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-8929407
7.
The formation of HCS and HCSH molecules and their role in the collision of comet Shoemaker-Levy 9 with Jupiter.
Science
; 279(5354): 1181-4, 1998 Feb 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-9469802
8.
Structure assignment in the solid state by the coupling of quantum chemical calculations with NMR experiments: a columnar hexabenzocoronene derivative.
J Am Chem Soc
; 123(11): 2597-606, 2001 Mar 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-11456929
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