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Environmental Science & Technology|July 13, 2006
Molecular orbital theory study on surface complex structures of glyphosate on goethite: calculation of vibrational frequenciesLorena Tribe, Kideok D Kwon, Chad C Trout, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|October 27, 2010
Photodissolution of ferrihydrite in the presence of oxalic acid: an in situ ATR-FTIR/DFT studyNarayan Bhandari, Douglas B Hausner, James D Kubicki, et al.
Environmental Science & Technology|July 6, 2016
X-ray Absorption Spectroscopic Quantification and Speciation Modeling of Sulfate Adsorption on Ferrihydrite SurfacesChunhao Gu, Zimeng Wang, James D Kubicki, et al.
Environmental Science & Technology|September 22, 2009
Quantum chemical study of arsenic (III, V) adsorption on Mn-oxides: implications for arsenic(III) oxidationMengqiang Zhu, Kristian W Paul, James D Kubicki, et al.
Physical Chemistry Chemical Physics : PCCP|July 20, 2023
Distinguishing different surface interactions for nucleotides adsorbed onto hematite and goethite particle surfaces through ATR-FTIR spectroscopy and DFT calculationsIzaac Sit, Mark A Young, James D Kubicki, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 24, 2006
The role of structured water in the calibration and interpretation of theoretical IR spectraMatthew C F Wander, James D Kubicki, Martin A A Schoonen
Chemistry Central Journal|August 20, 2009
Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular speciesJames D Kubicki, Gary P Halada, Prashant Jha, et al.
Origins of Life and Evolution of the Biosphere : the Journal of the International Society for the Study of the Origin of Life|May 3, 2008
Reduction of N2 by Fe2+ via homogeneous and heterogeneous reactions Part 2: the role of metal binding in activating N2 for reduction; a requirement for both pre-biotic and biological mechanismsMatthew C F Wander, James D Kubicki, Martin A A Schoonen
ACS Earth & Space Chemistry|November 25, 2022
Microbial Denitrification: Active Site and Reaction Path Models Predict New Isotopic FingerprintsJason D Boettger, Cajetan Neubauer, Sebastian H Kopf, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|April 4, 2020
In Situ and Real-Time ATR-FTIR Temperature-Dependent Adsorption Kinetics Coupled with DFT Calculations of Dimethylarsinate and Arsenate on Hematite NanoparticlesSara Soldoozy, Anthony Trinh, James D Kubicki, et al.
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