相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。An integrated flow microcalorimetry, infrared spectroscopy and density functional theory approach to the study of chromate complexation on hematite and ferrihdyrite
Nadine J. Kabengi et al.
CHEMICAL GEOLOGY (2017)
Toxic and genotoxic effects of hexavalent chromium in environment and its bioremediation strategies
Sandhya Mishra et al.
JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART C-ENVIRONMENTAL CARCINOGENESIS & ECOTOXICOLOGY REVIEWS (2016)
Mechanisms of Chromate, Selenate, and Sulfate Adsorption on Al-Substituted Ferrihydrite: Implications for Ferrihydrite Surface Structure and Reactivity
Chad P. Johnston et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2016)
Facet-Dependent Cr(VI) Adsorption of Hematite Nanocrystals
Xiaopeng Huang et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2016)
Phosphate alteration of chloride behavior at the boehmite-water interface: New insights from ion-probe flow adsorption microcalorimetry
S. Adrian Gale et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2015)
Mechanisms of chromate adsorption on hematite
Chad P. Johnston et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2014)
Surface and mineral structure of ferrihydrite
Tjisse Hiemstra
GEOCHIMICA ET COSMOCHIMICA ACTA (2013)
Single-Site and Monolayer Surface Hydration Energy of Anatase and Rutile Nanoparticles Using Density Functional Theory
Daniel R. Hummer et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Calorimetric Investigation of the Nature of Sulfate and Phosphate Sorption on Amorphous Aluminum Hydroxide
Chip Appel et al.
SOIL SCIENCE (2013)
Investigation of Chromate Coordination on Ferrihydrite by in Situ ATR-FTIR Spectroscopy and Theoretical Frequency Calculations
Chad P. Johnston et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2012)
Quantum mechanical calculations on Fe - O - H nanoparticles
James D. Kubicki et al.
GEODERMA (2012)
ATR-FTIR and Density Functional Theory Study of the Structures, Energetics, and Vibrational Spectra of Phosphate Adsorbed onto Goethite
James D. Kubicki et al.
LANGMUIR (2012)
Composition and structural aspects of naturally occurring ferrihydrite
A. Cristina Cismasu et al.
COMPTES RENDUS GEOSCIENCE (2011)
Improving the density functional theory description of water with self-consistent polarization
Garold Murdachaew et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Density Functional Theory Study of Ferrihydrite and Related Fe-Oxyhydroxides
Nathan Pinney et al.
CHEMISTRY OF MATERIALS (2009)
Rethinking Arsenate Coordination at the Surface of Goethite
John S. Loring et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
Goethite surface reactivity: II. A microscopic site-density model that describes its surface area-normalized variability
Mario Villalobos et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2009)
Origin of Nanoscale Phase Stability Reversals in Titanium Oxide Polymorphs
Daniel R. Hummer et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Simultaneous inner- and outer-sphere arsenate adsorption on corundum and hematite
Jeffrey G. Catalano et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2008)
Goethite surface reactivity:: A macroscopic investigation unifying proton, chromate, carbonate, and lead(II) adsorption
Mario Villalobos et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2008)
Kinetics and energetics of phosphate sorption in a multi-component Al(III)-Fe(III) hydr(oxide) sorbent system
O. R. Harvey et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
The structure of ferrihydrite, a nanocrystalline material
F. Marc Michel et al.
SCIENCE (2007)
ATHENA, ARTEMIS, HEPHAESTUS:: data analysis for X-ray absorption spectroscopy using IFEFFIT
B Ravel et al.
JOURNAL OF SYNCHROTRON RADIATION (2005)
First-principles calculation of the structure and magnetic phases of hematite
G Rollmann et al.
PHYSICAL REVIEW B (2004)
Molecular orbital theory study on surface complex structures of phosphates to iron hydroxides: Calculation of vibrational frequencies and adsorption energies
KD Kwon et al.
LANGMUIR (2004)
6-31G*basis set for third-row atoms
VA Rassolov et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2001)
IFEFFIT: interactive XAFS analysis and FEFF fitting
M Newville
JOURNAL OF SYNCHROTRON RADIATION (2001)
Molden: a pre- and post-processing program for molecular and electronic structures
G Schaftenaar et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2000)
分享论文
