D. Sherman

发表

Surface oxidation of pyrite under ambient atmospheric and aqueous (pH=2 to 10) conditions: Electronic structure and mineralogy from X-ray absorption spectroscopy

E. C. Todd, D. Sherman, J. Purton, 2003 .

Electronic spectra of Fe3+ oxides and oxide hydroxides in the near IR to near UV

David M. Sherman, T. Waite, D. Sherman, 1985 .

EFFECT OF INORGANIC AND ORGANIC LIGANDS ON THE MECHANISM OF CADMIUM SORPTION TO GOETHITE

K. Ragnarsdóttir, D. Sherman, Clare R. Collins, 1999 .

Mineral-physics constraints on core-mantle equilibrium

D. Sherman, 1998 .

The composition of the Earth's core: constraints on S and Si vs. temperature

D. Sherman, 1997 .

Aqueous speciation of yttrium at temperatures from 25 to 340°C at Psat: an in situ EXAFS study

E. Oelkers, K. Ragnarsdóttir, D. Sherman, 1998 .

Surface Complexation of Hg2+ on Goethite: Mechanism from EXAFS Spectroscopy and Density Functional Calculations

K. Ragnarsdóttir, D. Sherman, Clare R. Collins, 1999 .

Spectral reflectance properties of magnetites: Implications for remote sensing

E. Cloutis, S. Mertzman, M. Izawa, 2019, Icarus.

High-temperature heat capacity of Co3O4 spinel: thermally induced spin unpairing transition

A. Navrotsky, D. Sherman, K. Mocała, 1992 .

The electronic structures of Fe3+ coordination sites in iron oxides: Applications to spectra, bonding, and magnetism

D. Sherman, 1985 .

The electronic structures of manganese oxide minerals

D. Sherman, 1984 .

The high‐pressure electronic structure of magnesiowustite (Mg, Fe)O: Applications to the physics and chemistry of the lower mantle

D. Sherman, 1991 .

High-spin to low-spin transition of iron(II) oxides at high pressures: possible effects on the physics and chemistry of the lower mantle

D. Sherman, 1988 .

Molecular controls on Cu and Zn isotopic fractionation in Fe–Mn crusts

J. Hein, D. Sherman, S. Little, 2014 .

Mineralogical and geochemical evolution of micas from miarolitic pegmatites of the anorogenic pikes peak batholith, Colorado

R. Eby, P. Černý, D. Sherman, 1995 .

Electronic structures of siderite (FeCO3) and rhodochrosite (MnCO3): Oxygen K-edge spectroscopy and hybrid density functional theory

D. Sherman, 2009 .

Sorption of nickel ontogoethite (α-FeOOH) and desorption kinetics of aged synthetic Ni-goethite: Implication for Ni laterite ore

D. Sherman, I. M. Ugwu, C. Bacon, 2019, Chemical Geology.

Fate of As(III) and As(V) during Microbial Reduction of Arsenic-Bearing Ferrihydrite Facilitated by Activated Carbon

D. Jaisi, Dong-mei Zhou, Guodong Fang, 2018, ACS Earth and Space Chemistry.

Surface oxidation of chalcocite (Cu2S) under aqueous (pH = 2–11) and ambient atmospheric conditions: Mineralogy from Cu L- and O K-edge X-ray absorption spectroscopy

E. C. Todd, D. Sherman, 2003 .

Chemical Bonding in Silicates

D. Sherman, S. Dubrovinsky, 1994 .

Stability of possible Fe-FeS and Fe-FeO alloy phases at high pressure and the composition of the Earth's core

D. Sherman, 1995 .

First-principles prediction of the high-pressure phase transition and electronic structure of FeO: Implications for the chemistry of the lower mantle and core

H. Jansen, D. Sherman, 1995 .

Molecular orbital (SCF-Xα-SW) theory of metal-metal charge transfer processes in minerals

D. Sherman, 1987 .

Surface oxidation of chalcopyrite (CuFeS2) under ambient atmospheric and aqueous (pH 2-10) conditions: Cu, Fe L- and O K-edge X-ray spectroscopy

E. C. Todd, D. Sherman, J. Purton, 2003 .

Structural Chemistry of Fe, Mn, and Ni in Synthetic Hematites as Determined by Extended X-Ray Absorption Fine Structure Spectroscopy

R. Gilkes, Balwant Singh, D. Sherman, 2000 .

The Adsorption Mechanism of Sr2+ on the Surface of Goethite

D. Sherman, Clare R. Collins, K. V. Ragnarsdöttir, 1998 .

Optical (diffuse reflectance) and Moessbauer spectroscopic study of nontronite and related Fe-bearing smectites

N. Vergo, D. Sherman, 1988 .

Chemical bonding in the outer core: High‐pressure electronic structures of oxygen and sulfur in metallic iron

D. Sherman, 1991 .

Chemical bonding and the incorporation of potassium into the Earth's core

D. Sherman, 1990 .

The nature of the pressure-induced metallization of FeO and its implications to the core-mantle boundary

D. Sherman, 1989 .

Surface complexation of U(VI) on goethite (α-FeOOH)

C. Peacock, D. Sherman, C. G. Hubbard, 2008 .

Natural attenuation of lead by microbial manganese oxides in a karst aquifer.

J. Lloyd, Yunyao Luo, D. Sherman, 2021, The Science of the total environment.

Surface complexation model for multisite adsorption of copper(II) onto kaolinite

C. Peacock, D. Sherman, 2005 .

Equilibrium isotopic fractionation of copper during oxidation/reduction, aqueous complexation and ore-forming processes: Predictions from hybrid density functional theory

D. Sherman, 2013 .

The role of Pb(II) complexes in hydrothermal mass transfer: An X-ray absorption spectroscopic study

J. Brugger, B. Etschmann, Weihua Liu, 2018, Chemical Geology.

A review of the coordination chemistry of hydrothermal systems, or do coordination changes make ore deposits?

J. Brugger, B. Etschmann, Weihua Liu, 2016 .

Molecular speciation of Mo (VI) on goethite and its implications for molybdenum and its isotopic cycle in ocean

D. Sherman, Xinyu Wang, 2021, Geochimica et Cosmochimica Acta.

Surface Complexation Modeling: Mineral Fluid Equilbria at the Molecular Scale

D. Sherman, 2009 .

Speciation and thermodynamic properties of zinc in sulfur-rich hydrothermal fluids: Insights from ab initio molecular dynamics simulations and X-ray absorption spectroscopy

J. Brugger, B. Etschmann, Weihua Liu, 2016 .

Zinc complexation in chloride-rich hydrothermal fluids (25-600°C): A thermodynamic model derived from ab initio molecular dynamics

J. Brugger, B. Etschmann, Weihua Liu, 2015 .

Ab initio molecular dynamics simulation and free energy exploration of copper(I) complexation by chloride and bisulfide in hydrothermal fluids

J. Brugger, Weihua Liu, D. Sherman, 2013 .

Complexation of Cu2+ in oxidized NaCl brines from 25°C to 175°C: results from in situ EXAFS spectroscopy

K. Ragnarsdóttir, D. Sherman, M. Collings, 2000 .

MOLECULAR-ORBITAL (SCF-X-ALPHA-SW) THEORY OF METAL-METAL CHARGE-TRANSFER PROCESSES IN MINERALS .2. APPLICATION TO FE-2+ GREATER-THAN TI-4+ CHARGE-TRANSFER TRANSITIONS IN OXIDES AND SILICATES

D. Sherman, 1987 .

Electronic structures of iron and manganese oxides with applications to their mineralogy

D. Sherman, 1984 .

The mechanism of cadmium surface complexation on iron oxyhydroxide minerals

K. Ragnarsdóttir, D. Sherman, Clare R. Collins, 1999 .

Vanadium(V) adsorption onto goethite (α-FeOOH) at pH 1.5 to 12: a surface complexation model based on ab initio molecular geometries and EXAFS spectroscopy

C. Peacock, D. Sherman, 2004 .

Surface complexation of arsenic(V) to iron(III) (hydr)oxides: structural mechanism from ab initio molecular geometries and EXAFS spectroscopy

David M. Sherman, D. Sherman, S. Randall, 2003 .

Sorption of As(III) and As(V) to siderite, green rust (fougerite) and magnetite: Implications for arsenic release in anoxic groundwaters

D. Sherman, J. Jonsson, 2008 .

Equation of state, elastic properties, and stability of CaSiO3 perovskite: First principles (periodic Hartree‐Fock) results

D. Sherman, 1993 .

Quantum Chemistry and Classical Simulations of Metal Complexes in Aqueous Solutions

D. Sherman, 2001 .

Incorporation of Cr, Mn and Ni into goethite (α-FeOOH): mechanism from extended X-ray absorption fine structure spectroscopy

R. Gilkes, Balwant Singh, D. Sherman, 2002, Clay Minerals.

Zinc Complexation in Hydrothermal Chloride Brines: Results from ab Initio Molecular Dynamics Calculations

D. Sherman, D. Harris, J. Brodholt, 2003 .

Palladium complexation in chloride- and bisulfide-rich fluids: Insights from ab initio molecular dynamics simulations and X-ray absorption spectroscopy

J. Brugger, B. Etschmann, Weihua Liu, 2015 .

Speciation of nickel (II) chloride complexes in hydrothermal fluids: In situ XAS study

Yuan Tian, J. Brugger, B. Etschmann, 2012 .

Hartree-Fock band structure, equation of state, and pressure-induced hydrogen bonding in brucite, Mg(OH)2

D. Sherman, 1991 .

SCF-Xα-SW MO Study of Fe-O and Fe-OH chemical bonds; applications to the mössbauer spectra and magnetochemistry of hydroxyl-bearing Fe3+ oxides and silicates

D. Sherman, 1985 .

Sorption of As(V) on green rust (Fe

K. Ragnarsdóttir, D. Sherman, S. Randall, 2001 .

An extended X-ray absorption fine structure spectroscopy investigation of cadmium sorption on cryptomelane (KMn8O16)

David M. Sherman, K. Ragnarsdóttir, D. Sherman, 1998 .

Electronic structures of iron(III) and manganese(IV) (hydr)oxide minerals : Thermodynamics of photochemical reductive dissolution in aquatic environments

D. Sherman, 2005 .

The dissociation mechanism and thermodynamic properties of HCl(aq) in hydrothermal fluids (to 700 °C, 60 kbar) by ab initio molecular dynamics simulations

J. Gale, J. Brugger, Weihua Liu, 2018 .

Ion association in concentrated NaCI brines from ambient to supercritical conditions: results from classical molecular dynamics simulations

D. Sherman, M. Collings, 2002, Geochemical transactions.

Metal complexation and ion association in hydrothermal fluids: insights from quantum chemistry and molecular dynamics

D. Sherman, 2010 .

Sorption of Ni by birnessite: Equilibrium controls on Ni in seawater

C. Peacock, D. Sherman, 2007 .

The reduction of aqueous Au3+ by sulfide minerals and green rust phases

K. Ragnarsdóttir, D. Sherman, D. Heasman, 2003 .

Metal complexation and ion hydration in low density hydrothermal fluids: Ab initio molecular dynamics simulation of Cu(I) and Au(I) in chloride solutions (25-1000 C, 1-5000 bar)

J. Brugger, Weihua Liu, D. Sherman, 2014 .

Complexation of Cu+ in Hydrothermal NaCl Brines: Ab initio molecular dynamics and energetics

D. Sherman, 2007 .

Surface Complexation of Cu on Birnessite (δ-MnO2): Controls on Cu in the Deep Ocean

C. Peacock, D. Sherman, 2010 .

Complexation of gold in S3--rich hydrothermal fluids: Evidence from ab-initio molecular dynamics simulations

J. Brugger, Weihua Liu, D. Sherman, 2013 .

Speciation of tin (Sn2+ and Sn4+) in aqueous Cl solutions from 25°C to 350°C: An in situ EXAFS study

E. Oelkers, K. Ragnarsdóttir, D. Sherman, 2000 .

An EXAFS spectroscopic study of aqueous antimony(III)-chloride complexation at temperatures from 25 to 250°C

E. Oelkers, D. Sherman, Clare R. Collins, 1998 .

Cluster molecular orbital description of the electronic structures of mixed-valence iron oxides and silicates

D. Sherman, 1986 .

Crystal-chemistry of Ni in marine ferromanganese crusts and nodules

C. Peacock, D. Sherman, 2007 .

The solubility of goethite with structurally incorporated nickel and cobalt: Implication for laterites

D. Sherman, I. M. Ugwu, 2019, Chemical Geology.

Irreversibility of sorption of cobalt to goethite (α-FeOOH) and disparities in dissolution of aged synthetic Co-goethite

D. Sherman, I. M. Ugwu, 2017 .

Spectral characteristics of the iron oxides with application to the Martian bright region mineralogy

D. Sherman, R. Burns, V. Burns, 1982 .

Magnetization and geochemistry of greigite-bearing Cretaceous strata, North Slope basin, Alaska

C. Rice, R. Reynolds, M. Tuttle, 1994 .

Copper(II) sorption onto goethite, hematite and lepidocrocite: a surface complexation model based on ab initio molecular geometries and EXAFS spectroscopy

C. Peacock, D. Sherman, 2004 .

Isotopic disequilibrium of Cu in marine ferromanganese crusts: Evidence from ab initio predictions of Cu isotope fractionation on sorption to birnessite

D. Sherman, S. Little, 2020, Earth and Planetary Science Letters.

Band-gap measurements of bulk and nanoscale hematite by soft x-ray spectroscopy

David M. Sherman, Cathrine Frandsen, E. R. Maxey, 2009 .

Electronic Structures of Iron Oxides and Silicates

D. Sherman, 1994 .

Survey of Quantum Chemistry and Methods Used to Calculate the Electronic Structures of Minerals

D. Sherman, S. Dolin, 1994 .

Antimony transport in hydrothermal solutions: an EXAFS study of antimony(V) complexation in alkaline sulfide and sulfide-chloride brines at temperatures from 25 degrees C to 300 degrees C at P-sat

E. Oelkers, K. Ragnarsdóttir, D. Sherman, 2000 .

The nature of NaCl–H2O deep fluids from ab initio molecular dynamics at 0.5–4.5 GPa, 20–800 °C, and 1–14 m NaCl

D. Sherman, S. Fowler, 2020, Geochimica et Cosmochimica Acta.

Reply to comment on “Molecular controls on Cu and Zn isotopic fractionation in Fe–Mn crusts”

D. Sherman, S. Little, D. Vance, 2015 .

Reinvestigation of the annite = sanidine + magnetite + H2 reaction using the fH₂-sensor technique

I. Chou, D. Sherman, G. Cygan, 1996 .

Ion association in concentrated NaCl brines from ambient to supercritical conditions

D. Sherman, Collings, 2002 .

Sorption of aqueous heavy metals by mineral surfaces: Insights from quantum chemistry, spectroscopy and surface complexation modeling (abstract of paper presented at 229th American Chemical Society National Meeting, San Diego, USA, March 13-17, 2005)

C. Peacock, D. Sherman, J. Cutting, 2005 .