161 results
9 - Some Perspective
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- A Computational Introduction to Quantum Physics
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- 24 April 2024
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- 25 April 2024, pp 165-170
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Crystal structure of nicarbazin, (C13H10N4O5)(C6H8N2O)
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- Powder Diffraction , First View
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- 18 March 2024, pp. 1-6
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Crystal structure of ractopamine hydrochloride, C18H24NO3Cl
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- Powder Diffraction , First View
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- 29 February 2024, pp. 1-11
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Proposed crystal structure of carbadox, C11H10N4O4
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- Powder Diffraction , First View
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- 29 February 2024, pp. 1-12
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Crystal structure of indacaterol hydrogen maleate (C24H29N2O3)(HC4H2O4)
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- Powder Diffraction , First View
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- 29 February 2024, pp. 1-6
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The CS/K Exchange in Muscovite Interlayers: An Ab Initio Treatment
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- Clays and Clay Minerals / Volume 49 / Issue 6 / December 2001
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- 28 February 2024, pp. 500-513
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Crystal structure of anthraquinone-2-carboxylic acid, C15H8O4
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- Powder Diffraction / Volume 39 / Issue 1 / March 2024
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- 19 February 2024, pp. 29-35
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Project 12: - Rectangular Quantum Well Filled with Electrons – The Idea of Self-Consistent Calculations
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- A First Guide to Computational Modelling in Physics
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- 01 February 2024
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- 08 February 2024, pp 78-80
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Adsorption of Ar into zeolite Al-MFI (NH4)
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- Powder Diffraction / Volume 39 / Issue 1 / March 2024
- Published online by Cambridge University Press:
- 08 February 2024, pp. 12-19
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Stability of Montmorillonite Edge Faces Studied Using First-Principles Calculations
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- Clays and Clay Minerals / Volume 65 / Issue 4 / August 2017
- Published online by Cambridge University Press:
- 01 January 2024, pp. 252-272
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Density Functional Theory Computation of Organic Compound Penetration into Sepiolite Tunnels
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- Clays and Clay Minerals / Volume 65 / Issue 1 / February 2017
- Published online by Cambridge University Press:
- 01 January 2024, pp. 1-13
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Comprehensive Examination of Dehydroxylation of Kaolinite, Disordered Kaolinite, and Dickite: Experimental Studies and Density Functional Theory
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- Clays and Clay Minerals / Volume 68 / Issue 4 / August 2020
- Published online by Cambridge University Press:
- 01 January 2024, pp. 319-333
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Formation of Humboldtine During the Dissolution of Hematite in Oxalic Acid – Density Functional Theory (DFT) Calculations and Experimental Verification
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- Clays and Clay Minerals / Volume 69 / Issue 6 / December 2021
- Published online by Cambridge University Press:
- 01 January 2024, pp. 655-662
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Ab Initio Determination of Edge Surface Structures for Dioctahedral 2:1 Phyllosilicates: Implications for Acid-Base Reactivity
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- Clays and Clay Minerals / Volume 51 / Issue 4 / August 2003
- Published online by Cambridge University Press:
- 01 January 2024, pp. 359-371
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Ab Initio Molecular Dynamics Study of Fe-Containing Smectites
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- Clays and Clay Minerals / Volume 58 / Issue 1 / February 2010
- Published online by Cambridge University Press:
- 01 January 2024, pp. 89-96
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Comparative Computational Study of NP(V) and U(VI) Adsorption on (110) Edge Surfaces of Montmorillonite
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- Clays and Clay Minerals / Volume 64 / Issue 4 / August 2016
- Published online by Cambridge University Press:
- 01 January 2024, pp. 438-451
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Density Functional Theory (DFT) Study of the Hydration Steps of Na+/Mg2+/Ca2+/Sr2+/Ba2+-Exchanged Montmorillonites
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- Clays and Clay Minerals / Volume 58 / Issue 2 / April 2010
- Published online by Cambridge University Press:
- 01 January 2024, pp. 174-187
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Crystal structure of calcium L-5-methyltetrahydrofolate trihydrate type I, C20H23N7O6Ca(H2O)3
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- Powder Diffraction / Volume 38 / Issue 3 / September 2023
- Published online by Cambridge University Press:
- 13 November 2023, pp. 207-214
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Crystal structure of danofloxacin mesylate (C19H21FN3O3)(CH3O3S)
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- Powder Diffraction / Volume 38 / Issue 3 / September 2023
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- 10 August 2023, pp. 194-200
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2 - Fundamentals of Atomistic Simulation Methods
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- Computational Design of Engineering Materials
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- 29 June 2023
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- 29 June 2023, pp 12-45
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