Generalized Gradient Approximation Made Simple
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journal
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October 1996 |
Density‐functional thermochemistry. III. The role of exact exchange
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journal
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April 1993 |
Quantum-Chemical Calculations of Carbon-Isotope Fractionation in CO 2 (g), Aqueous Carbonate Species, and Carbonate Minerals
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journal
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January 2008 |
A Review of Hydrogen, Carbon, Nitrogen, Oxygen, Sulphur, and Chlorine Stable Isotope Fractionation Among Gaseous Molecules
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journal
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May 1977 |
Isotopic fractionation of Mg2+(aq), Ca2+(aq), and Fe2+(aq) with carbonate minerals
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November 2010 |
Calculation of oxygen isotope fractionation in hydroxyl-bearing silicates
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journal
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December 1993 |
Experimental studies of oxygen and hydrogen isotope fractionations between precipitated brucite and water at low temperatures
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July 1999 |
First-principles study of the structural and isotopic properties of Al- and OH-bearing hematite
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July 2010 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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January 1988 |
Calculation of oxygen isotope fractionation in metal oxides
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August 1991 |
Density-functional exchange-energy approximation with correct asymptotic behavior
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September 1988 |
First-principles calculation of H/D isotopic fractionation between hydrous minerals and water
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July 2010 |
The thermodynamic properties of isotopic substances
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January 1947 |
Oxygen isotope fractionation between hydroxide minerals and water
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February 1998 |
Oxygen isotope fractionation in quartz, albite, anorthite and calcite
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March 1989 |
Oxygen isotope partition function ratio of water and the structure of liquid water
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May 1969 |
Oxygen isotope fractionations involving apatites: Application to paleotemperature determination
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January 1996 |
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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June 1986 |
Hydrogen Isotope Fractionation in the Epidote–Hydrogen and Epidote–Water Systems: Theoretical Study and Implications
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September 2018 |
Toward reliable density functional methods without adjustable parameters: The PBE0 model
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April 1999 |
Inhomogeneous Electron Gas
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November 1964 |
Hydrogen isotope fractionation in the system brucite-water ± NaCl to elevated temperatures and pressures: Implications for the isotopic property of NaCl fluids under geologic conditions
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August 2018 |
Experimental investigation of Mg isotope fractionation during mineral dissolution and clay formation
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December 2016 |
Hydrogen and Oxygen Isotope Fractionation Between Brucite and Aqueous NaCl Solutions from 250 to 450°C
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journal
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February 1998 |
Computational prediction of Mg-isotope fractionation between aqueous [Mg(OH2)6]2+ and brucite
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April 2018 |
Neutron Diffraction Study of Calcium Hydroxide
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March 1957 |
Equilibrium Oxygen, Hydrogen and Carbon Isotope Fractionation Factors Applicable to Geologic Systems
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journal
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January 2001 |
Equilibrium isotopic fractionation in the kaolinite, quartz, water system: Prediction from first-principles density-functional theory
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July 2007 |
Reduced partition function ratios of iron and oxygen in goethite
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February 2015 |
Pressure Effect on Hydrogen Isotope Fractionation Between Brucite and Water at Elevated Temperatures
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November 1999 |
Investigating the behaviour of Mg isotopes during the formation of clay minerals
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March 2014 |
Calculation of oxygen isotope fractionation in anhydrous silicate minerals
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March 1993 |
Rationale for mixing exact exchange with density functional approximations
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December 1996 |
Note on an Approximation Treatment for Many-Electron Systems
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October 1934 |
D/H isotopic fractionation between brucite Mg(OH)2 and water from first-principles vibrational modeling
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May 2009 |
Magnesium isotope fractionation between brucite [Mg(OH)2] and Mg aqueous species: Implications for silicate weathering and biogeochemical processes
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May 2014 |
Quantum Mechanical Continuum Solvation Models
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August 2005 |
Oxygen isotope fractionation in the portlandite–water and brucite–water systems from 125 to 450 °C, 50 MPa
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journal
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November 2015 |
Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
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January 1996 |
Self-Consistent Equations Including Exchange and Correlation Effects
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November 1965 |