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Journal of the American Chemical Society, ISSN 0002-7863, 01/2012, Volume 134, Issue 2, pp. 1243 - 1249
(C5Me4H)3U, 1, reacts with 1 equiv of NO to form the first f element nitrosyl complex (C5Me4H)3UNO, 2... 
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 01/2012, Volume 134, Issue 2, pp. 1243 - 1249
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 09/2008, Volume 129, Issue 11, pp. 114105 - 114105-8
The random phase approximation (RPA) to the density functional correlation energy systematically improves upon many limitations of present semilocal... 
DENSITY | ELECTRON-GAS | MOLECULAR CALCULATIONS | EXPANSION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CORRELATION-ENERGY | LIMIT | EXCHANGE | GAUSSIAN-BASIS SETS | SIGN FUNCTION
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2010, Volume 133, Issue 13, pp. 134105 - 134105-11
Journal Article
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 03/2014, Volume 4, Issue 2, pp. 91 - 100
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 02/2012, Volume 136, Issue 8, pp. 084105 - 084105-6
The basis set convergence of energy differences obtained from the random phase approximation (RPA) to the correlation energy is investigated for a wide range... 
AUXILIARY BASIS-SETS | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | intramolecular forces | convergence of numerical methods | RPA calculations | NONCOVALENT INTERACTIONS | binding energy | isomerisation | MP2 | DENSITY FUNCTIONALS | extrapolation | electron correlations | DATABASE | organic compounds | COMPUTATION | RI-MP2
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 11/2013, Volume 139, Issue 17, p. 171103
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 03/2016, Volume 138, Issue 12, pp. 4036 - 4045
The reactivity of the recently discovered Th2+ complex [K­(18-crown-6)­(THF)2]­[Cp″3Th], 1 [Cp′′ = C5H3(SiMe3)2-1,3], with hydrogen reagents has been... 
URANIUM | THE+2 OXIDATION-STATE | CRYSTALLINE MOLECULAR-COMPLEX | TUCK-IN | ORGANOMETALLIC CHEMISTRY | NEUTRON-DIFFRACTION | REACTIVITY | F-ELEMENT METAL | BOND ACTIVATION | C-H ACTIVATION | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2010, Volume 132, Issue 23, pp. 234114 - 234114-9
.... 121 , 11599 ( 2004 ) ] and MOLEKEL [ F. Weigend , Chem. Phys. Lett. 294 , 143 ( 1998 ) ] benchmark sets. Using imaginary frequency... 
AUXILIARY BASIS-SETS | polymer blends | PLESSET PERTURBATION-THEORY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | RPA calculations | Laplace transforms | ACCURACY | potential energy functions | electron correlations | density functional theory | SCF calculations | DENSITY-FUNCTIONAL THEORY | EFFICIENT USE | RI-MP2
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 03/2017, Volume 139, Issue 9, pp. 3387 - 3398
The Th3+ complex, (CsMes)(3)Th, has been isolated despite the fact that tris(pentamethylcyclopentadienyl) complexes are highly reactive due to steric crowding... 
ELECTRONIC-STRUCTURES | DONOR-LIGAND | HYDRIDE CHEMISTRY | F-ELEMENT COMPLEX | MOLECULAR-COMPLEXES | OXIDATION-STATE | ACTINIDE COMPLEXES | X-RAY-DIFFRACTION | CHEMISTRY, MULTIDISCIPLINARY | MONOXIDE ACTIVATION | PI-SYMMETRY
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 2004, Volume 70, Issue 2, pp. 1 - 22514
In pair density-functional theory, the only unknown piece of the energy is the kinetic energy T as a functional of the pair density P(x(1),x(2)). Although T... 
ORDER | ENERGY | MATRICES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OPTICS | NATURAL SPIN-ORBITALS | EQUATION | MECHANICAL 2-ELECTRON PROBLEM | HARTREE-FOCK METHOD | SCHROEDINGER EQUATION | DENSITY FUNCTIONAL METHOD | ELECTRONS | INFORMATION | KINETIC ENERGY | ATOMIC AND MOLECULAR PHYSICS | ELECTRON PAIRS | POTENTIALS | BOSONS | GROUND STATES | DENSITY MATRIX
Journal Article
Inorganic chemistry, ISSN 0020-1669, 12/2019, Volume 58, Issue 23, pp. 16004 - 16010
The existence of divalent bis­(penta­isopropyl­cyclopenta­dienyl) actinocene compounds, An­(CpiPr5 )2 (An = Th, U, Pu, Am, Bk, No, and Lr), is assessed by... 
URANIUM | MOLECULAR-COMPLEXES | OXIDATION-STATE | CHEMISTRY | IONS | BASIS-SETS | POLYMERIZATION | METALLOCENE | IDENTIFICATION | DISCOVERY | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
ANNALS OF INTENSIVE CARE, ISSN 2110-5820, 04/2018, Volume 8, Issue 1, pp. 52 - 10
... Dubin4, F. Javier Hurtado5, Gilberto Friedman6, Ricardo Castro1, Leyla Alegría1, Maurizio Cecconi7, Jean‑Louis Teboul8 and Jan Bakker1,9,10,11The ANDROMEDA‑SHOCK... 
MULTICENTER | Lactate | FLUID | Fluid responsiveness | CONSENSUS | Septic shock | Peripheral perfusion | SEPSIS | Resuscitation | CRITICAL CARE MEDICINE | Intensive care units | Services | Usage | Patient outcomes | Analysis | Clinical trials | Development and progression | Diagnosis | Risk factors | Sepsis | Intensive care | Evidence-based medicine | Mortality
Journal Article