Present and Future Nuclear Reactor Designs: Weighing the Advantages and Disadvantages of Nuclear Power with an Eye on Improving Safety and Meeting Future Needs
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February 1993 |
The Cost of Recovering Uranium from Seawater by a Braided Polymer Adsorbent System
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May 2013 |
Characterization and remediation of soils contaminated with uranium
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April 2009 |
Recent advances in computational actinoid chemistry
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January 2012 |
Thoria and inert matrix fuels for a sustainable nuclear power
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November 2008 |
Abundant thorium as an alternative nuclear fuel
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September 2013 |
The Influence of Surface Charge Density of Phosphatides on the Binding of Some Cations
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July 1968 |
Activation of CH 4 by Th + as Studied by Guided Ion Beam Mass Spectrometry and Quantum Chemistry
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March 2015 |
Reactions of Th + + H 2 , D 2 , and HD Studied by Guided Ion Beam Tandem Mass Spectrometry and Quantum Chemical Calculations
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October 2015 |
Bond energies of ThO + and ThC + : A guided ion beam and quantum chemical investigation of the reactions of thorium cation with O 2 and CO
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May 2016 |
Activation of Water by Thorium Cation: A Guided Ion Beam and Quantum Chemical Study
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April 2019 |
Mechanism and Energetics of the Hydrolysis of Th + To Form Th(OD) 3 + : Guided Ion Beam and Theoretical Studies of ThO + , ThO 2 + , and OThOD + Reacting with D 2 O
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June 2019 |
Bond energy of ThN + : A guided ion beam and quantum chemical investigation of the reactions of thorium cation with N 2 and NO
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July 2019 |
Proton Transfer in Th(IV) Hydrate Clusters: A Link to Hydrolysis of Th(OH) 2 2+ to Th(OH) 3 + in Aqueous Solution
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January 2013 |
Collision‐induced dissociation of Fe + n ( n =2–10) with Xe: Ionic and neutral iron binding energies
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May 1989 |
Reactions of N+4 with rare gases from thermal to 10eV center-of-mass energy: collision-induced dissociation, charge transfer and ligand exchange
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June 1991 |
Sequential bond energies of chromium carbonyls (Cr(CO)x+, x = 1-6)
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July 1993 |
Sequential bond energies of iron carbonyl Fe(CO)x+ (x = 1-5): systematic effects on collision-induced dissociation measurements
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November 1991 |
Reactions of scandium oxide (ScO+), titanium oxide (TiO+) and vanadyl (VO+) with deuterium: M+-OH bond energies and effects of spin conservation
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January 1993 |
State-Specific Reactions of Fe+(a6D,a4F) with D2O and Reactions of FeO+ with D2
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June 1994 |
Collision-induced dissociation of MO+ and MO2+ (M=Ta and W): Metal oxide and dioxide cation bond energies
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December 2011 |
Integral cross sections for ion—molecule reactions. I. The guided beam technique
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June 1974 |
Translational energy dependence of Ar + +XY→ArX + +Y (XY=H 2 ,D 2 ,HD) from thermal to 30 eV c.m.
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July 1985 |
Collision-induced dissociation of vanadium monoxide ion
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October 1986 |
Solvation of Transition Metal Ions by Water. Sequential Binding Energies of M+(H2O)x (x = 1-4) for M = Ti to Cu Determined by Collision-Induced Dissociation
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April 1994 |
Effect of internal excitation on the collision-induced dissociation and reactivity of Co 2 +
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March 1990 |
Scintillation Type Mass Spectrometer Ion Detector
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March 1960 |
Doppler Broadening in Beam Experiments
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September 1971 |
Negative ion–molecule reactions of ozone and their implications on the thermochemistry of O3−
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January 1978 |
Collision-induced dissociation of Nb+n (n = 2 − 11): bond energies and dissociation pathways
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December 1990 |
Guided ion beam study of collision-induced dissociation dynamics: integral and differential cross sections
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July 2001 |
Accurate evaluation of internal energy level sums and densities including anharmonic oscillators and hindered rotors
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March 1973 |
Algorithm 448: number of multiply-restricted partitions
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June 1973 |
On the use of exact state counting methods in RRKM rate calculations
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July 1977 |
Current Status of Transition-State Theory
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January 1996 |
Understanding heterolytic bond cleavage
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October 1992 |
Statistical modeling of collision-induced dissociation thresholds
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March 1997 |
Stepwise solvation enthalpies of protonated water clusters: collision-induced dissociation as an alternative to equilibrium studies
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December 1993 |
Density‐functional thermochemistry. III. The role of exact exchange
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journal
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April 1993 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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January 1988 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
Effect of the damping function in dispersion corrected density functional theory
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March 2011 |
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
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December 1996 |
Toward reliable density functional methods without adjustable parameters: The PBE0 model
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April 1999 |
Theoretical Study of Stable Trans and Cis Isomers in [UO 2 (OH) 4 ] 2- Using Relativistic Density Functional Theory
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August 1998 |
Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2? (X=F, Cl, OH) and AnF6 (An=U, Np, Pu)
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journal
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January 1999 |
Note on an Approximation Treatment for Many-Electron Systems
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October 1934 |
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
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journal
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February 1982 |
Quadratic configuration interaction. A general technique for determining electron correlation energies
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journal
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November 1987 |
An efficient reformulation of the closed‐shell coupled cluster single and double excitation (CCSD) equations
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journal
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December 1988 |
Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?
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journal
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April 1989 |
State of the Art in Counterpoise Theory
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journal
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November 1994 |
Correlation consistent basis sets for actinides. I. The Th and U atoms
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journal
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February 2015 |
Relativistic Small-Core Pseudopotentials for Actinium, Thorium, and Protactinium
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journal
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March 2014 |
Basis Set Exchange: A Community Database for Computational Sciences
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March 2007 |
The structure and binding energy of K + –ether complexes: A comparison of MP2, RI‐MP2, and density functional methods
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journal
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August 1996 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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journal
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January 1989 |
Comment on: “Estimating the Hartree–Fock limit from finite basis set calculations” [Jensen F (2005) Theor Chem Acc 113:267]
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journal
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December 2005 |
Ab initio total atomization energies of small molecules — towards the basis set limit
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journal
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September 1996 |
Matrix Infrared Spectra and Theoretical Studies of Thorium Oxide Species: ThO x and Th 2 O y
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December 2011 |
Thorium Fluorides ThF, ThF 2 , ThF 3 , ThF 4 , ThF 3 (F 2 ), and ThF 5 – Characterized by Infrared Spectra in Solid Argon and Electronic Structure and Vibrational Frequency Calculations
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journal
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June 2013 |
Properties of ThF x from Infrared Spectra in Solid Argon and Neon with Supporting Electronic Structure and Thermochemical Calculations
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journal
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March 2014 |
Energy‐adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide
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journal
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May 1994 |
Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials
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journal
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January 2003 |
Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li-F
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journal
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October 1983 |
Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions
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journal
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January 1980 |
Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca
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journal
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October 1997 |
Zn 2+ Has a Primary Hydration Sphere of Five: IR Action Spectroscopy and Theoretical Studies of Hydrated Zn 2+ Complexes in the Gas Phase
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journal
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December 2010 |
Molecular dynamics investigation of expanded water at elevated temperatures
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journal
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February 1989 |