Handbook of Basic Atomic Spectroscopic Data
|
journal
|
December 2005 |
Thermodynamic Properties of Actinides and Actinide Compounds
|
book
|
January 2007 |
Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond
|
journal
|
February 2005 |
Cobalt–benzene cluster anions: Mass spectrometry and negative ion photoelectron spectroscopy
|
journal
|
June 2002 |
The full CCSDT model for molecular electronic structure
|
journal
|
June 1987 |
Electron Affinities, Fluoride Affinities, and Heats of Formation of the Second Row Transition Metal Hexafluorides: MF 6 (M = Mo, Tc, Ru, Rh, Pd, Ag)
|
journal
|
June 2010 |
Probing the electronic structure of UO+ with high-resolution photoelectron spectroscopy
|
journal
|
October 2006 |
Reactions of Th + + H 2 , D 2 , and HD Studied by Guided Ion Beam Tandem Mass Spectrometry and Quantum Chemical Calculations
|
journal
|
October 2015 |
The MRCC program system: Accurate quantum chemistry from water to proteins
|
journal
|
February 2020 |
Coupled cluster theory for high spin, open shell reference wave functions
|
journal
|
October 1993 |
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
|
journal
|
February 1982 |
Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H 2 →H 2 +H reaction
|
journal
|
May 1994 |
Experimental and Theoretical Evidence for the Formation of Several Uranium Hydride Molecules
|
journal
|
February 1997 |
Revision of the Douglas-Kroll transformation
|
journal
|
June 1989 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
|
journal
|
January 1989 |
Use of Improved Orbitals for CCSD(T) Calculations for Predicting Heats of Formation of Group IV and Group VI Metal Oxide Monomers and Dimers and UCl 6
|
journal
|
July 2016 |
Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited †
|
journal
|
November 2004 |
Quantum electrodynamical corrections to the fine structure of helium
|
journal
|
January 1974 |
Exploring the Actinide−Actinide Bond: Theoretical Studies of the Chemical Bond in Ac 2 , Th 2 , Pa 2 , and U 2
|
journal
|
December 2006 |
Second‐order perturbation theory with a complete active space self‐consistent field reference function
|
journal
|
January 1992 |
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
|
journal
|
May 1992 |
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
|
journal
|
September 2004 |
Electron affinity of uranium and bound states of opposite parity in its anion
|
journal
|
May 2021 |
Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide
|
journal
|
September 2017 |
The electron affinity of the uranium atom
|
journal
|
June 2021 |
A very short uranium–uranium bond: The predicted metastable U22+
|
journal
|
January 2005 |
Further benchmarks of a composite, convergent, statistically calibrated coupled-cluster-based approach for thermochemical and spectroscopic studies
|
journal
|
April 2012 |
Spectroscopic and theoretical studies of UN and UN +
|
journal
|
March 2020 |
Coupled-cluster theory in quantum chemistry
|
journal
|
February 2007 |
The Molpro quantum chemistry package
|
journal
|
April 2020 |
The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule
|
journal
|
February 1981 |
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
|
journal
|
September 1988 |
Spectroscopic and Theoretical Investigations of UF and UF +
|
journal
|
February 2013 |
Electronic structure of UH, UF, and their ions
|
journal
|
July 1983 |
Photoelectron spectroscopy of metal cluster anions: Cu − n , Ag − n , and Au − n
|
journal
|
November 1990 |
Accurate Relativistic Small-Core Pseudopotentials for Actinides. Energy Adjustment for Uranium and First Applications to Uranium Hydride †
|
journal
|
November 2009 |
Multiconfigurational quantum chemical methods for molecular systems containing actinides
|
journal
|
January 2007 |
Perturbative corrections to account for triple excitations in closed and open shell coupled cluster theories
|
journal
|
September 1994 |
Uranium
|
book
|
January 2008 |
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
|
journal
|
May 1980 |
An open-shell spin-restricted coupled cluster method: application to ionization potentials in nitrogen
|
journal
|
June 1988 |
Th 2 O – , Th 2 Au – , and Th 2 AuO 1,2 – Anions: Photoelectron Spectroscopic and Computational Characterization of Energetics and Bonding
|
journal
|
December 2020 |
NBO 7.0 : New vistas in localized and delocalized chemical bonding theory
|
journal
|
June 2019 |
Interaction of Th with H0/–/+: Combined Experimental and Theoretical Thermodynamic Properties
|
journal
|
January 2022 |
Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges
|
journal
|
January 2012 |
The Energy Levels of a Rotating Vibrator
|
journal
|
September 1932 |
Gas Phase Properties of MX 2 and MX 4 (X = F, Cl) for M = Group 4, Group 14, Cerium, and Thorium
|
journal
|
May 2015 |
An exact separation of the spin‐free and spin‐dependent terms of the Dirac–Coulomb–Breit Hamiltonian
|
journal
|
February 1994 |
The coupled‐cluster single, double, and triple excitation model for open‐shell single reference functions
|
journal
|
October 1990 |
Correlation consistent basis sets for actinides. I. The Th and U atoms
|
journal
|
February 2015 |
Third Row Transition Metal Hexafluorides, Extraordinary Oxidizers, and Lewis Acids: Electron Affinities, Fluoride Affinities, and Heats of Formation of WF 6 , ReF 6 , OsF 6 , IrF 6 , PtF 6 , and AuF 6 †
|
journal
|
February 2010 |
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
|
journal
|
January 1997 |
All-electron Douglas–Kroll–Hess and pseudopotential study on the low-lying states of uranium hydride UH
|
journal
|
January 2008 |
Actinide speciation in the environment
|
journal
|
June 2007 |
Theoretical spectroscopy study of the low-lying electronic states of UX and UX+, X = F and Cl
|
journal
|
November 2015 |
Comparative electronic structure of a lanthanide and actinide diatomic oxide: Nd versus U
|
journal
|
January 2003 |
Second-order perturbation theory with a CASSCF reference function
|
journal
|
July 1990 |
The generalized Douglas–Kroll transformation
|
journal
|
November 2002 |
Parallel Douglas–Kroll energy and gradients in NWChem: Estimating scalar relativistic effects using Douglas–Kroll contracted basis sets
|
journal
|
January 2001 |
Spin-orbit matrix elements for internally contracted multireference configuration interaction wavefunctions
|
journal
|
November 2000 |
Coupled‐cluster methods with noniterative triple excitations for restricted open‐shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients
|
journal
|
June 1993 |
Fuels for Advanced Nuclear Energy Systems
|
journal
|
January 2009 |
Noniterative energy corrections through fifth-order to the coupled cluster singles and doubles method
|
journal
|
April 1998 |
An ab initio study of excited states of U and UF
|
journal
|
March 2003 |
Infrared spectra and quantum chemical calculations of the uranium-carbon molecules UC, CUC, UCH, and U(CC)2
|
journal
|
June 2011 |
Reactions of Laser-Ablated U Atoms with HF: Infrared Spectra and Quantum Chemical Calculations of HUF, UH, and UF in Noble Gas Solids
|
journal
|
August 2014 |
Reactions of U + with H 2 , D 2 , and HD Studied by Guided Ion Beam Tandem Mass Spectrometry and Theory
|
journal
|
September 2021 |