Publications by authors named "Thomas Proffen"

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Solving the "Coloring Problem" in InPdAg ( = 0-0.7) by Phase Diagrams Modeling and Diffraction Experiments.
Nilanjan Roy, Sandip K Kuila, Jin Li, Mustafa Eid, Kathryn MacIntosh, Thomas Proffen

Inorg Chem· December 2025

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Higher Dimensionality in the Mg-Co-B System: Synthesis and Structure of Incommensurate Composite MgCoB.
Paul Oftedahl, Gourab Bhaskar, Nawsher J Parvez, Zhen Zhang, Yang Sun, Thomas Proffen

J Am Chem Soc· December 2025

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Understanding the Hydronium Cation in the Solid State: A Study in Synthetic Hydronium Uranyl Phosphate and Arsenate Mineral Systems and Their Irradiation Stability.
Teagan F M Sweet, Zoë C Emory, Brodie S Barth, Jennifer Neu, Rodney D Hunt, Thomas E Proffen

Inorg Chem· July 2025

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Integrated edge-to-exascale workflow for real-time steering in neutron scattering experiments.
Junqi Yin, Viktor Reshniak, Siyan Liu, Guannan Zhang, Xiaoping Wang, Thomas Proffen

Struct Dyn· November 2024

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Machine learning in crystallography and structural science.
Simon J L Billinge, Thomas Proffen

Acta Crystallogr A Found Adv· March 2024

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Multifunctional CuTSiS (T = Mn and Fe): Polar Semiconducting Antiferromagnets with Nonlinear Optical Properties.
Zachary T Messegee, Jun Sang Cho, Andrew J Craig, V Ovidiu Garlea, Yan Xin, Thomas E Proffen

Inorg Chem· January 2023

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Exact and fast calculation of the X-ray pair distribution function.
Reinhard B Neder, Thomas Proffen

J Appl Crystallogr· June 2020

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Precise implications for real-space pair distribution function modeling of effects intrinsic to modern time-of-flight neutron diffractometers.
Daniel Olds, Claire N Saunders, Megan Peters, Thomas Proffen, Joerg Neuefeind

Acta Crystallogr A Found Adv· July 2018

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Structure and stability of SnO2 nanocrystals and surface-bound water species.
Hsiu-Wen Wang, David J Wesolowski, Thomas E Proffen, Lukas Vlcek, Wei Wang

J Am Chem Soc· May 2013

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Local structural investigation of SmFeAsO₁₋xF(x) high temperature superconductors.
Lorenzo Malavasi, Gianluca A Artioli, Hyunjeong Kim, Beatrice Maroni, Boby Joseph, Thomas Proffen

J Phys Condens Matter· July 2011

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The diammoniate of diborane: crystal structure and hydrogen release.
Mark Bowden, David J Heldebrant, Abhi Karkamkar, Thomas Proffen, Gregory K Schenter

Chem Commun (Camb)· December 2010

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Entropically stabilized local dipole formation in lead chalcogenides.
Emil S Božin, Christos D Malliakas, Petros Souvatzis, Thomas Proffen, Nicola A Spaldin

Science· December 2010

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Growth of crystalline polyaminoborane through catalytic dehydrogenation of ammonia borane on FeB nanoalloy.
Teng He, Junhu Wang, Guotao Wu, Hyunjeong Kim, Thomas Proffen

Chemistry· November 2010

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Combining density functional theory (DFT) and pair distribution function (PDF) analysis to solve the structure of metastable materials: the case of metakaolin.
Claire E White, John L Provis, Thomas Proffen, Daniel P Riley, Jannie S J van Deventer

Phys Chem Chem Phys· April 2010

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Density functional modeling of the local structure of kaolinite subjected to thermal dehydroxylation.
Claire E White, John L Provis, Thomas Proffen, Daniel P Riley, Jannie S J van Deventer

J Phys Chem A· April 2010

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Determination of structure and phase transition of light element nanocomposites in mesoporous silica: case study of NH3BH3 in MCM-41.
Hyunjeong Kim, Abhi Karkamkar, Tom Autrey, Peter Chupas, Thomas Proffen

J Am Chem Soc· September 2009

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Structural and dynamic properties of BaInGeH: a rare solid-state indium hydride.
Michael J Evans, Verina F Kranak, Francisco J Garcia-Garcia, Gregory P Holland, Luke L Daemen, Thomas Proffen

Inorg Chem· July 2009

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Neutron powder diffraction and molecular simulation study of the structural evolution of ammonia borane from 15 to 340 K.
Nancy J Hess, Gregory K Schenter, Michael R Hartman, Luc L Daemen, Thomas Proffen

J Phys Chem A· May 2009

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New insight into the properties of proton-conducting oxides from neutron total scattering.
Lorenzo Malavasi, Hyunjeong Kim, Thomas Proffen

Chemphyschem· November 2008

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Local structural origins of the distinct electronic properties of Nb-substituted SrTiO3 and BaTiO3.
Katharine Page, Taras Kolodiazhnyi, Thomas Proffen, Anthony K Cheetham, Ram Seshadri

Phys Rev Lett· November 2008

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Nature of the monoclinic to cubic phase transition in the fast oxygen ion conductor La2Mo2O9 (LAMOX).
Lorenzo Malavasi, Hyunjeong Kim, Simon J L Billinge, Thomas Proffen, Cristina Tealdi

J Am Chem Soc· May 2007

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Atomic distributions in the gamma-brass structure of the Cu-Zn system: a structural and theoretical study.
Olivier Gourdon, Delphine Gout, Darrick J Williams, Thomas Proffen, Sara Hobbs

Inorg Chem· January 2007

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Magnetic behaviour of layered Ag(II) fluorides.
Sylvia E McLain, Michelle R Dolgos, D Alan Tennant, John F C Turner, Ted Barnes, Thomas Proffen

Nat Mater· July 2006

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Short- and long-range order in the positive electrode material, Li(NiMn)0.5O2: a joint X-ray and neutron diffraction, pair distribution function analysis and NMR study.
Julien Bréger, Nicolas Dupré, Peter J Chupas, Peter L Lee, Thomas Proffen

J Am Chem Soc· May 2005

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