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TurbomoleA single-molecule diode.GW100: Benchmarking G0W0 for Molecular Systems.Implementation of Two-Component Time-Dependent Density Functional Theory in TURBOMOLE.The GW-Method for Quantum Chemistry Applications: Theory and Implementation.Phosphorescence lifetimes of organic light-emitting diodes from two-component time-dependent density functional theory.Understanding of multimetallic cluster growth.Coordination and oligomerisation of the siloxanephosphane cage compound [P(2){(SiMe(2))(2)O}(3)].Quantum chemical treatments of metal clusters.Slow magnetic relaxation in trigonal-planar mononuclear Fe(II) and Co(II) bis(trimethylsilyl)amido complexes--a comparative study.Neutral and cationic main group element cages of germanium(II) with pyrazolyl ligands: solid state structures, DFT calculations and advanced solution NMR investigations.Superatomic Orbitals under Spin-Orbit Coupling.An NHC-phosphinidenyl as a synthon for new group 13/15 compounds.Electron paramagnetic resonance and density-functional theory studies of Cu(II)-bis(oxamato) complexes.An efficient implementation of two-component relativistic exact-decoupling methods for large molecules.Extending DFT-based genetic algorithms by atom-to-place re-assignment via perturbation theory: a systematic and unbiased approach to structures of mixed-metallic clusters.Coinage Metal Complexes of Bis-Alkynyl-Functionalized N-Heterocyclic Carbenes: Reactivity, Photophysical Properties, and Quantum Chemical Investigations.The chemical space of PbN-nBin and (PbN-nBin)+: A systematic study for N = 3-13.{[CuSn5 Sb3 ](2-) }2 : A Dimer of Inhomogeneous Superatoms.Synthesis and Optical Properties of [Cu6E6(SnPh)2(PPh2Et)6] (E = S, Se, Te) Cluster Molecules.Calculation of Magnetic Shielding Constants with meta-GGA Functionals Employing the Multipole-Accelerated Resolution of the Identity: Implementation and Assessment of Accuracy and Efficiency.Segmented Contracted Error-Consistent Basis Sets of Double- and Triple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron Calculations.Bis(6-methylene-2,2'-bipyridine)phenylphosphine-A Flexible Ligand for the Construction of Trinuclear Coinage-Metal Complexes.A Controlled Route to a Luminescent 3 d10 -5 d10 Sulfido Cluster Containing Unique AuCu2 (μ3 -S) Motifs.A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.Optical properties of trinuclear metal chalcogenolate complexes - room temperature NIR fluorescence in [Cu2Ti(SPh)6(PPh3)2].Structural relaxation in charged metal surfaces and cluster ions.(Ge2P2)2-: a binary analogue of P4 as a precursor to the ternary cluster anion [Cd3(Ge3P)3]3.Luminescence in phosphine-stabilized copper chalcogenide cluster molecules--a comparative study.Red-luminescent biphosphine stabilized 'Cu₁₂S₆' cluster molecules.Zinc chalcogenolate complexes as precursors to ZnE and Mn/ZnE (E = S, Se) clusters.Bistrimethylsilylamide transition-metal complexes as starting reagents in the synthesis of ternary Cd-Mn-Se cluster complexes.One-Electron Energies from the Two-Component GW Method.Off-Diagonal Self-Energy Terms and Partially Self-Consistency in GW Calculations for Single Molecules: Efficient Implementation and Quantitative Effects on Ionization Potentials.Structures and properties of neutral gallium clusters: a theoretical investigation.Acceleration of self-consistent-field convergence by combining conventional diagonalization and a diagonalization-free procedure.Accurate Coulomb-fitting basis sets for H to Rn.Hartree-Fock exchange fitting basis sets for H to Rn.Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.Atom-type assignment in molecules and clusters by perturbation theory-A complement to X-ray structure analysis.
P50
Q29543600-3433BFD1-45AD-47A5-AD3F-ABEBE33AE388Q33863100-07C36EB4-9E0A-4F84-A8EB-AD5BE1B9B9ABQ38934624-AAE2DEC0-2436-427B-8EB9-14860C179D35Q40291968-03136697-2189-4911-B274-8FFCD9564E6EQ40296013-E627107A-3D8C-482A-871E-333A64C0FC58Q41705459-9CD7B475-CF68-45EC-BEF4-186B40B2EA21Q41780724-339B76F4-E256-4089-9215-DD28A09196BCQ43290943-8845A9E6-A00B-4042-BCFF-BDFD5C3CC6CBQ45058874-95399B61-8205-4422-BFE9-FFE5DDBC0EC4Q45241076-1DF85A45-9848-44C9-B631-317441B1D6B8Q45947076-E5B6CE11-4DCA-4FE9-9124-7344C28B53A1Q46226707-398D034C-31AB-4A57-A9D0-7CF12687B532Q46346260-9C278F77-1AD6-44CF-8A53-B12005052689Q46505198-2A6F2DF6-A231-41BC-9E61-C1371C9C969BQ46571224-0603F342-D409-4B8F-BB55-CB42EF98223EQ46827978-968A0C4B-6BD0-4E51-880B-91C245D344FEQ47828913-FE08C640-2B24-4DC6-90EF-7A34B76EEEE7Q48003600-CB38B3DB-109C-44AD-8628-B3406A5BAC49Q48054855-A74512D0-F37A-48AD-8C3C-50495AD4FB08Q48057314-7633FBFE-1B86-4FBA-B250-13E97E6EC5B1Q48132985-B07C4696-3F2F-4CF8-A352-89BF0BECFF9BQ48173569-2CD18625-B137-414E-A19E-04BFCD02D62EQ48208336-6583C418-B3D1-4CD2-B624-F888E8ECC027Q48277879-7605703B-4B64-43A2-9D58-7B3BE036CA51Q48281583-44CA299E-AFA0-47DE-AD2B-36C23FB7B5EFQ48350390-F2C74CA3-9B14-477C-A290-AEF3720CEBDEQ48419547-674679A0-16D0-42DB-9342-9FE951DA0B8FQ50119305-0C624A48-056E-4A2E-B030-3608AEA5DDB4Q50437011-FF8FC841-5359-4B4B-B28E-98DE54D4A9BBQ50463295-ABA19988-8DE3-47E4-90F7-FF3E0384E37BQ50516460-82B2ED02-7C5F-4D0A-92D7-4CC3D478EDF6Q50567289-9E6EFED1-42D4-47D0-87F1-DEDB86A53CC1Q50770902-9C17ADA3-149C-4CB3-8279-5E88FB8DBF46Q50772466-69B99AAB-5636-47C1-AB5A-5722ABF19751Q51543477-C1835BC4-80B7-4A5B-89EA-96006E71AB13Q51544894-2D7735F1-67C5-42A2-96CC-385B54F5EF0BQ51630624-C813D343-CAFB-4468-B662-47916F2EF441Q51912568-7123039A-C14E-40FC-A8C3-5BEC0D0BD180Q51961792-4D2E131A-055E-4957-8FC1-06AA4A8B8138Q51976789-5DBCBE55-A3A1-4624-89C5-690D84336319
P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Florian Weigend
@ast
Florian Weigend
@en
Florian Weigend
@es
Florian Weigend
@nl
Florian Weigend
@sl
type
label
Florian Weigend
@ast
Florian Weigend
@en
Florian Weigend
@es
Florian Weigend
@nl
Florian Weigend
@sl
prefLabel
Florian Weigend
@ast
Florian Weigend
@en
Florian Weigend
@es
Florian Weigend
@nl
Florian Weigend
@sl
P1053
R-5843-2017
P106
P21
P31
P3829
P496
0000-0001-5060-1689