Handbook of Basic Atomic Spectroscopic Data
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December 2005 |
Fuels for sodium-cooled fast reactors: US perspective
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September 2007 |
The full CCSDT model for molecular electronic structure
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June 1987 |
Fuel development for gas-cooled fast reactors
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September 2007 |
The MRCC program system: Accurate quantum chemistry from water to proteins
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February 2020 |
Coupled cluster theory for high spin, open shell reference wave functions
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October 1993 |
Probing the electronic structures of low oxidation-state uranium fluoride molecules UF x − ( x = 2−4)
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December 2013 |
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
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February 1982 |
Revision of the Douglas-Kroll transformation
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June 1989 |
Electronic Properties of UN and UN– from Photoelectron Spectroscopy and Correlated Molecular Orbital Theory
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October 2022 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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January 1989 |
Uranium carbide properties for advanced fuel modeling – A review
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January 2022 |
Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited †
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November 2004 |
Production of High-Density Uranium Carbide Compacts for Use in Composite Nuclear Fuels
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August 2008 |
Quantum electrodynamical corrections to the fine structure of helium
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January 1974 |
Second‐order perturbation theory with a complete active space self‐consistent field reference function
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January 1992 |
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
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May 1992 |
A fifth-order perturbation comparison of electron correlation theories
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May 1989 |
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
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September 2004 |
Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide
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September 2017 |
Theoretical study of actinide monocarbides (ThC, UC, PuC, and AmC)
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December 2016 |
RIMS measurements for the determination of the first ionization potential of the actinides actinium up to einsteinium
- Waldek, Achim
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RESONANCE IONIZATION SPECTROSCOPY 2000: Laser Ionization and Applications Incorporating RIS; 10th International Symposium, AIP Conference Proceedings
https://doi.org/10.1063/1.1405607
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conference
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January 2001 |
Accurate Ionization Potentials for UO and UO 2 : A Rigorous Test of Relativistic Quantum Chemistry Calculations
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June 2003 |
The electron affinity of the uranium atom
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June 2021 |
Further benchmarks of a composite, convergent, statistically calibrated coupled-cluster-based approach for thermochemical and spectroscopic studies
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April 2012 |
Effect of spin-orbit and on-site Coulomb interactions on the electronic structure and lattice dynamics of uranium monocarbide
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August 2016 |
Spectroscopic and theoretical studies of UN and UN +
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March 2020 |
Coupled-cluster theory in quantum chemistry
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February 2007 |
The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule
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February 1981 |
The Molpro quantum chemistry package
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April 2020 |
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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September 1988 |
Spectroscopic and Theoretical Investigations of UF and UF +
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February 2013 |
Photoelectron spectroscopy of metal cluster anions: Cu − n , Ag − n , and Au − n
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November 1990 |
Experimental and Computational Description of the Interaction of H and H– with U
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June 2022 |
Accurate Relativistic Small-Core Pseudopotentials for Actinides. Energy Adjustment for Uranium and First Applications to Uranium Hydride †
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November 2009 |
Erratum: The NBS tables of chemical thermodynamic properties. Selected values for inorganic and C1 and C2 organic substances in SI units [J. Phys. Chem. Ref. Data 11, Suppl. 2 (1982)]
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October 1989 |
Perturbative corrections to account for triple excitations in closed and open shell coupled cluster theories
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September 1994 |
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
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May 1980 |
Systematic study of the stable states ofC−,Si−,Ge−,andSn−via infrared laser spectroscopy
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October 1998 |
An open-shell spin-restricted coupled cluster method: application to ionization potentials in nitrogen
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June 1988 |
Ground-state electronic structure of actinide monocarbides and mononitrides
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July 2009 |
Electronic correlation and transport properties of nuclear fuel materials
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November 2011 |
Additive Covalent Radii for Single-, Double-, and Triple-Bonded Molecules and Tetrahedrally Bonded Crystals: A Summary
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September 2014 |
First-principles study of defect behavior in irradiated uranium monocarbide
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March 2011 |
NBO 7.0 : New vistas in localized and delocalized chemical bonding theory
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June 2019 |
Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges
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January 2012 |
Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds
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May 2010 |
The Energy Levels of a Rotating Vibrator
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September 1932 |
The coupled‐cluster single, double, and triple excitation model for open‐shell single reference functions
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October 1990 |
Correlation consistent basis sets for actinides. I. The Th and U atoms
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February 2015 |
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
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January 1997 |
The permanent electric dipole moments and magnetic g factors of uranium monoxide
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November 2006 |
Search for effective local model potentials for simulation of quantum electrodynamic effects in relativistic calculations
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March 2003 |
Bond dissociation energies of TiC, ZrC, HfC, ThC, NbC, and TaC
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July 2018 |
Theoretical spectroscopy study of the low-lying electronic states of UX and UX+, X = F and Cl
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November 2015 |
Electronic structures and mechanical properties of uranium monocarbide from first-principles and calculations
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September 2009 |
Second-order perturbation theory with a CASSCF reference function
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July 1990 |
The generalized Douglas–Kroll transformation
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November 2002 |
Parallel Douglas–Kroll energy and gradients in NWChem: Estimating scalar relativistic effects using Douglas–Kroll contracted basis sets
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January 2001 |
Spin-orbit matrix elements for internally contracted multireference configuration interaction wavefunctions
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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
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June 1993 |
Fuels for Advanced Nuclear Energy Systems
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January 2009 |
Noniterative energy corrections through fifth-order to the coupled cluster singles and doubles method
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April 1998 |
First-principles study of uranium carbide: Accommodation of point defects and of helium, xenon, and oxygen impurities
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January 2010 |
Infrared spectra and quantum chemical calculations of the uranium-carbon molecules UC, CUC, UCH, and U(CC)2
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June 2011 |