Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond.
about
Quadruple bonding in C2 and analogous eight-valence electron speciesMetal Ion Modeling Using Classical MechanicsFormation of unprecedented actinide triple bond carbon in uranium methylidyne moleculesPredicting new, simple inorganic species by quantum chemical calculations: some successes.The color of rhodopsins at the ab initio multiconfigurational perturbation theory resolution.Preparation and Characterization of Uranium-Iron Triple-Bonded UFe(CO)3- and OUFe(CO)3- Complexes.Defect induced electronic structure of uranofullereneStructural and electronic properties of uranium-encapsulated Au₁₄ cage.Progress and challenges in the calculation of electronic excited states.Recent advances in computational actinoid chemistry.Discovering complexes containing a metal-metal quintuple bond: from theory to practice.The ground state and electronic structure of Gd@C82: a systematic theoretical investigation of first principle density functionals.De novo design of an endohedral heteronuclear dimetallofullerene (U-Gd)@C60 with exceptional structural and electronic properties.Symmetry-amplified J splittings for quadrupolar spin pairs: a solid-state NMR probe of homoatomic covalent bonds.Communication: chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective.Explanation of the site-specific spin crossover in Fe(mtz)6(BF4)2.Quantum chemical treatments of metal clusters.Accurate ab initio density fitting for multiconfigurational self-consistent field methods.Actinide (An = Th-Pu) dimetallocenes: promising candidates for metal-metal multiple bonds.The important role of the Mo-Mo quintuple bond in catalytic synthesis of benzene from alkynes. A theoretical study.A multiconfigurational approach to the electronic structure of trichromium extended metal atom chains.The shortest Th-Th distance from a new type of quadruple bond.Quintuple super bonding between the superatoms of metallic clusters.A coordination strategy to realize a sextuply-bonded complex.A Very Short Uranium(IV)-Rhodium(I) Bond with Net Double-Dative Bonding Character.A hydrated ion model of [UO2]2+ in water: Structure, dynamics, and spectroscopy from classical molecular dynamics.Introducing DDEC6 atomic population analysis: part 3. Comprehensive method to compute bond ordersStructures, spectroscopic and thermodynamic properties of U₂On (n = 0 ∼ 2, 4) molecules: a density functional theory studyThe restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO2 and Cu2O2 systemsSpin-orbit effects in the photoabsorption of WAu12 and MoAu12: A relativistic time dependent density functional studyUnwilling U–U bonding in U2@C80: cage-driven metal–metal bonds in di-uranium fullerenesUnravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUOMetal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations
P2860
Q30048945-76D4D693-7C94-4DD8-86C3-7BAB9124F02EQ30363020-02D8BA1F-A73A-4096-8679-A2EEF015F144Q30441708-55F1AC0A-D7BD-4B90-9850-B5AE6545E4EFQ34158896-0C4250D1-C824-4A82-9610-0BDA9BECB965Q35768483-93D1489E-6372-41D6-907E-37A5D4B681E8Q36366766-6AE32912-375A-4887-9FBC-AD4B7DDAF0E0Q36637062-1BAEF028-5424-41A3-9A2D-F5E9C34F989EQ37733255-DE8DC30A-68A8-4030-91E7-5C5F369FCDFEQ37933188-EF4676CA-7649-49B5-AC15-4C22EC621A44Q38025027-33993DD5-31EA-465A-ACFF-25AB5786703FQ38188826-D1D1B062-1A00-49A9-ADCF-BD9ABB7C6B6EQ39065252-CAC24B43-DD5B-4E7F-8A82-3E6F81F0B171Q39136715-2F89991C-7BB8-4AAF-ADB3-36BBC1A1009AQ41908613-7A81FA45-9A35-4988-8E78-5BFA1EA5B1F4Q44190451-36ADF911-E3B9-46D0-A696-E36D9C5392F6Q44525972-7875BDD5-F478-40A5-B99F-B55A6F7BFEDCQ45058874-E2E6A691-6E88-460C-937B-4D2F6D1D2932Q46485746-27C37915-72FB-439E-A99A-2A85381D0EB1Q46669045-1FDECF08-64E3-4AAB-BF31-A0B60A3715F7Q46909194-D7BF4B20-21EE-46AB-A06C-E3A01C618B87Q47346958-5708A247-62E3-429A-83B9-01E89F27E42CQ48341026-039F5611-51CC-40AB-B4F7-4151BF0CEC73Q50275637-97DA93B2-8CDE-4639-B04C-60FADC47DB7EQ50644628-E16B6F28-DF15-469E-8727-32AECFA0CD18Q52318954-3701EA80-C000-4EF6-9C7E-45493B9B7598Q53626933-F403B22D-1687-48BF-839F-B5115F8D7BFAQ56484677-EAEC47B7-4983-4F70-860F-DF33E88FC4F4Q57165350-1F3BB240-A8D3-426F-A3C1-8CDC879980D6Q57250494-DBE713A7-DC89-457E-88EF-EA915EB61D45Q57526289-E0D5F43D-87A3-4CBC-A704-29857DE2CFD5Q57744773-5E48523F-3169-4C54-805A-A7E05E1ECA29Q57905316-31C51956-7F24-4FB6-B602-F0280F25C1BCQ58009755-65C41CFA-BAD9-4361-983C-4ABA48EB91AE
P2860
Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond.
description
2005 nî lūn-bûn
@nan
2005 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond.
@ast
Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond.
@en
type
label
Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond.
@ast
Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond.
@en
prefLabel
Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond.
@ast
Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond.
@en
P2860
P356
P1433
P1476
Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond.
@en
P2093
Björn O Roos
P2860
P2888
P304
P356
10.1038/NATURE03249
P407
P577
2005-02-01T00:00:00Z
P6179
1002625098