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6 results in Authors: Ricardo Grau-Crespo

Earth, Space, and Environmental Chemistry

Sulphur and Molybdenum Incorporation at the Calcite-Water Interface: Insights from Ab Initio Molecular Dynamics

Scott D. Midgley, Devis Di Tommaso, Dominik Fleitmann, Ricardo Grau-Crespo

Version 1 posted 07 May 2021

328

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Inorganic Chemistry

Tuning the Mechanical Properties of Dicyanamide-Based Molecular Perovskites

Shivani Grover, Stefan Burger, Karina Hemmer, Pia Vervoorts, Keith Butler, Gregor Kieslich, Ricardo Grau-Crespo

Version 1 posted 29 December 2022

163

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Fast, accurate and non-empirical determination of the lattice thermal conductivities of I-III-VI2 chalcopyrite semiconductors

Jose J. Plata, Victor Posligua, Antonio Marquez, Javier Fernández Sanz, Ricardo Grau-Crespo

Version 1 posted 17 September 2021

510

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Polymer Science

Numerical representations of AB-type copolymer complexes: Analysis of 1H NMR chemical shift patterns in terms of a Smith-Cantor set

Howard Colquhoun, Ricardo Grau-Crespo

Version 1 posted 02 January 2024

87

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Theoretical and Computational Chemistry

Bromate incorporation in calcite and aragonite

Scott Midgley, Dominik Fleitmann, Ricardo Grau-Crespo

Version 1 posted 28 June 2021

209

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Polymer Science

Single-Site Binding of Pyrene to Poly(ester-Imide)s Incorporating Long Spacer Units: Prediction of NMR Resonance-Patterns from a Fractal Model

Marcus Knappert, Tianqi Jin, Scott D. Midgley, Guanglu Wu, Oren Scherman, Ricardo Grau-crespo, Howard Colquhoun

Version 3 posted 10 July 2020

1,234

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