Browse "RIMS Collection" by Subject DENSITY-FUNCTIONAL THEORY
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| Ligand Effects on the Linear Response Hubbard U: The Case of Transition Metal Phthalocyanines Brumboiu, Iulia Emilia; Haldar, Soumyajyoti; Luder, Johann; Eriksson, E.; Herper, Heike C.; Brena, Barbara; Sanyal, Biplab, JOURNAL OF PHYSICAL CHEMISTRY A, v.123, no.14, pp.3214 - 3222, 2019-04 |
| MP2 basis set limit binding energy estimates of hydrogen-bonded complexes from extrapolation-oriented basis sets Young C.P.; Jae S.L., BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.28, no.3, pp.386 - 390, 2007 |
Photoelectron Spectroscopy of Molecules Beyond the Electric Dipole Approximation Brumboiu, Iulia Emilia; Eriksson, Olle; Norman, Patrick, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.15, no.10, pp.5483 - 5494, 2019-10 |
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