First-principles calculations of equilibrium nitrogen isotope fractionations among aqueous ammonium, silicate minerals and salts

Nitrogen isotope fractionations among gaseous and aqueous NH4+, NH3, N2, and metal-ammine complexes: Theoretical calculations and applications

(2021) Long Li et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Diamond isotope compositions indicate altered igneous oceanic crust dominates deep carbon recycling

(2019) Kan Li et al.   EARTH AND PLANETARY SCIENCE LETTERS

Redox control on nitrogen isotope fractionation during planetary core formation

(2019) Celia Dalou et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

First-principles investigation of equilibrium K isotope fractionation among K-bearing minerals

(2019) Yonghui Li et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Raman spectroscopy study of C-O-H-N speciation in reduced basaltic glasses: Implications for reduced planetary mantles

(2019) Celia Dalou et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Nitrogen Concentrations and Isotopic Compositions of Seafloor-Altered Terrestrial Basaltic Glass: Implications for Astrobiology

(2018) G.E. Bebout et al.   ASTROBIOLOGY

Diffusion coefficients of Mg isotopes in MgSiO 3 and Mg 2 SiO 4 melts calculated by first-principles molecular dynamics simulations

(2018) Xiaohui Liu et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Experimental investigation of nitrogen isotopic effects associated with ammonia degassing at 0–70 °C

(2018) Yuying Deng et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Review of Ammonium Chloride–Water Solution Properties

(2018) Mihaela Stefan-Kharicha et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

First-principles investigation of the concentration effect on equilibrium fractionation of K isotopes in feldspars

(2018) Yonghui Li et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Concentration effect on equilibrium fractionation of Mg-Ca isotopes in carbonate minerals: Insights from first-principles calculations

(2017) Wenzhong Wang et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

The relationship between mantle pH and the deep nitrogen cycle

(2017) Sami Mikhail et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Pathways for nitrogen cycling in Earth’s crust and upper mantle: A review and new results for microporous beryl and cordierite

(2016) Gray E. Bebout et al.   AMERICAN MINERALOGIST

On the effective ionic radii for ammonium

(2016) Vasyl Sidey   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

A nitrogen isotope fractionation factor between diamond and its parental fluid derived from detailed SIMS analysis of a gem diamond and theoretical calculations

(2015) D.C. Petts et al.   CHEMICAL GEOLOGY

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Anomalous nitrogen isotopes in ultrahigh-pressure metamorphic rocks from the Sulu orogenic belt: Effect of abiotic nitrogen reduction during fluid–rock interaction

(2014) Long Li et al.   EARTH AND PLANETARY SCIENCE LETTERS

Nitrogen speciation in mantle and crustal fluids

(2014) Yuan Li et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Nitrogen speciation in upper mantle fluids and the origin of Earth's nitrogen-rich atmosphere

(2014) Sami Mikhail et al.   Nature Geoscience

Devolatilization history and trace element mobility in deeply subducted sedimentary rocks: Evidence from Western Alps HP/UHP suites

(2013) Gray E. Bebout et al.   CHEMICAL GEOLOGY

Nitrogen solubility in upper mantle minerals

(2013) Yuan Li et al.   EARTH AND PLANETARY SCIENCE LETTERS

First-principles calculations of equilibrium Mg isotope fractionations between garnet, clinopyroxene, orthopyroxene, and olivine: Implications for Mg isotope thermometry

(2013) Fang Huang et al.   EARTH AND PLANETARY SCIENCE LETTERS

Tobelite and NH4+-rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry

(2012) E. Mesto et al.   AMERICAN MINERALOGIST

A general moment NRIXS approach to the determination of equilibrium Fe isotopic fractionation factors: Application to goethite and jarosite

(2012) N. Dauphas et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Ammonium stability and nitrogen isotope fractionations for –NH3(aq)–NH3(gas) systems at 20–70°C and pH of 2–13: Applications to habitability and nitrogen cycling in low-temperature hydrothermal systems

(2012) Long Li et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Nitrogen isotopes in ophiolitic metagabbros: A re-evaluation of modern nitrogen fluxes in subduction zones and implication for the early Earth atmosphere

(2011) Vincent Busigny et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Structures of the K+ and NH4+ forms of Linde J

(2011) Robert W. Broach et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Ammonium loss and nitrogen isotopic fractionation in biotite as a function of metamorphic grade in metapelites from western Maine, USA

(2010) Birgit Plessen et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

On the proper use of the Bigeleisen–Mayer equation and corrections to it in the calculation of isotopic fractionation equilibrium constants

(2010) Qi Liu et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

First-principles estimates of equilibrium magnesium isotope fractionation in silicate, oxide, carbonate and hexaaquamagnesium(2+) crystals

(2010) Edwin A. Schauble   GEOCHIMICA ET COSMOCHIMICA ACTA

Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory

(2010) R. M. Wentzcovitch et al.   Reviews in Mineralogy & Geochemistry

Ammonium-bearing clinopyroxene: A potential nitrogen reservoir in the Earth's mantle

(2009) Anke Watenphul et al.   CHEMICAL GEOLOGY

Spinel–olivine magnesium isotope thermometry in the mantle and implications for the Mg isotopic composition of Earth

(2009) E.D. Young et al.   EARTH AND PLANETARY SCIENCE LETTERS

Kinetic nitrogen isotope fractionation associated with thermal decomposition of NH3: Experimental results and potential applications to trace the origin of N2 in natural gas and hydrothermal systems

(2009) Long Li et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Isotopic fractionation of nitrogen and carbon in Paleoarchean cherts from Pilbara craton, Western Australia: Origin of 15N-depleted nitrogen

(2009) Daniele L. Pinti et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Nitrogen recycling in subducted oceanic lithosphere: The record in high- and ultrahigh-pressure metabasaltic rocks

(2009) Ralf Halama et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Iron isotope fractionation in the Earth’s lower mantle

(2009) James R. Rustad et al.   Nature Geoscience

Structural control over equilibrium silicon and oxygen isotopic fractionation: A first-principles density-functional theory study

(2008) Merlin Méheut et al.   CHEMICAL GEOLOGY