Ab initio and steady-state models for uranium isotope fractionation in multi-step biotic and abiotic reduction

Microbial U Isotope Fractionation Depends on the U(VI) Reduction Rate

(2020) Anirban Basu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

A model for kinetic isotope fractionation during redox reactions

(2019) Claresta Joe-Wong et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Uranium isotope fractionation by abiotic reductive precipitation

(2018) Shaun T. Brown et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Uranium Isotope Fractionation

(2017) Morten B. Andersen et al.   Reviews in Mineralogy & Geochemistry

Reactive transport of uranium in a groundwater bioreduction study: Insights from high-temporal resolution 238 U/ 235 U data

(2016) A.E. Shiel et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Nuclear size effects in vibrational spectra

(2016) Adel Almoukhalalati et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kinetic isotope effects in chemical and biochemical reactions: physical basis and theoretical methods of calculation

(2016) Àngels González-Lafont et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Electrochemical and Spectroscopic Evidence on the One-Electron Reduction of U(VI) to U(V) on Magnetite

(2015) Ke Yuan et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Isotope fractionation of 238U and 235U during biologically-mediated uranium reduction

(2015) Claudine H. Stirling et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Low temperature equilibrium isotope fractionation and isotope exchange kinetics between U(IV) and U(VI)

(2015) Xiangli Wang et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Anab initiostudy of nuclear volume effects for isotope fractionations using two-component relativistic methods

(2015) Keisuke Nemoto et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Uranium isotopes fingerprint biotic reduction

(2015) Malgorzata Stylo et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Nuclear volume effects in equilibrium stable isotope fractionations of mercury, thallium and lead

(2015) Sha Yang et al.   Scientific Reports

Uranium isotopic fractionation factors during U(VI) reduction by bacterial isolates

(2014) Anirban Basu et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

The energetics and kinetics of uranyl reduction on pyrite, hematite, and magnetite surfaces: A powder microelectrode study

(2013) Devon Renock et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Table of experimental nuclear ground state charge radii: An update

(2012) I. Angeli et al.   ATOMIC DATA AND NUCLEAR DATA TABLES

Nuclear size effects in rotational spectra: A tale with a twist

(2011) Stefan Knecht et al.   CHEMICAL PHYSICS

Relativistic Hamiltonians for Chemistry: A Primer

(2011) Trond Saue   CHEMPHYSCHEM

Reduction of Uranium(VI) by Soluble Iron(II) Conforms with Thermodynamic Predictions

(2011) Xin Du et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Products of abiotic U(VI) reduction by biogenic magnetite and vivianite

(2011) Harish Veeramani et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Mössbauer spectroscopy for heavy elements: a relativistic benchmark study of mercury

(2011) Stefan Knecht et al.   THEORETICAL CHEMISTRY ACCOUNTS

Uranium238U/235U Isotope Ratios as Indicators of Reduction: Results from an in situ Biostimulation Experiment at Rifle, Colorado, U.S.A.

(2010) Charles John Bopp et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Non-uraninite Products of Microbial U(VI) Reduction

(2010) Rizlan Bernier-Latmani et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Surface kinetic model for isotopic and trace element fractionation during precipitation of calcite from aqueous solutions

(2010) Donald J. DePaolo   GEOCHIMICA ET COSMOCHIMICA ACTA

Ligand effect on uranium isotope fractionations caused by nuclear volume effects: An ab initio relativistic molecular orbital study

(2010) Minori Abe et al.   JOURNAL OF CHEMICAL PHYSICS

Continuous surface charge polarizable continuum models of solvation. I. General formalism

(2010) Giovanni Scalmani et al.   JOURNAL OF CHEMICAL PHYSICS

Nuclear Field Shift Effect in Isotope Fractionation of Mercury during Abiotic Reduction in the Absence of Light

(2010) Wang Zheng et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ideas of relativistic quantum chemistry

(2010) Wenjian Liu   MOLECULAR PHYSICS

The nuclear field shift effect in chemical exchange reactions

(2009) Toshiyuki Fujii et al.   CHEMICAL GEOLOGY

Sr2+/Ca2+ and 44Ca/40Ca fractionation during inorganic calcite formation: II. Ca isotopes

(2008) Jianwu Tang et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

An ab initio molecular orbital study of the nuclear volume effects in uranium isotope fractionations

(2008) Minori Abe et al.   JOURNAL OF CHEMICAL PHYSICS

Catalytic Cycles for the Reduction of [UO2]2+by Cytochromec7Proteins Proposed from DFT Calculations

(2008) Mahesh Sundararajan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab initio study of sulfur isotope fractionation in the reaction of OCS with OH

(2007) Sebastian O. Danielache et al.   CHEMICAL PHYSICS LETTERS