Research output per year
Research output per year
Network
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Profiles
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Nicholas Chilton, MRSC
- Computational and Theoretical Chemistry - Professor of Computational and Theoretical Chemistry
Person: Academic
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Nikolas Kaltsoyannis
- Computational and Theoretical Chemistry - Professor & Head of Comp & Theor Chem
Person: Academic
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A catalytic alkene insertion approach to bicyclo[2.1.1]hexane bioisosteres
Agasti, S., Beltran, F., Pye, E., Kaltsoyannis, N., Crisenza, G. E. M. & Procter, D. J., 12 Jan 2023, (Accepted/In press) In: Nature Chemistry.Research output: Contribution to journal › Article › peer-review
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Construction of a Gaussian Process Regression Model of Formamide for Use in Molecular Simulations
Brown, M. L., Skelton, J. M. & Popelier, P. L. A., 17 Jan 2023, (Accepted/In press) In: Journal of Physical Chemistry A.Research output: Contribution to journal › Article › peer-review
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Determination of molecular hydration in solution via changes in magnetic anisotropy
Giansiracusa, M. J., Vonci, M., Whyatt, Y. L., Williams, C., Mason, K., Parker, D., Mcinnes, E. J. L. & Chilton, N. F., 20 Mar 2023, (Accepted/In press) In: Chemical Communications.Research output: Contribution to journal › Article › peer-review
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Determinative Effect of Axial Linearity on Single‐Molecule Magnet Performance in Dinuclear Dysprosium Complexes
Han, T., Ding, Y., Giansiracusa, M. J., Chilton, N. F., Winpenny, R. E. P. & Zheng, Y., 2 Mar 2023, (E-pub ahead of print) In: Chemistry – A European Journal.Research output: Contribution to journal › Article › peer-review
Open AccessFile4 Downloads (Pure) -
Gaussian Process Regression Models for Predicting Atomic Energies and Multipole Moments
Burn, M. & Popelier, P., 23 Jan 2023, (Accepted/In press) In: Journal of Chemical Theory and Computation.Research output: Contribution to journal › Article › peer-review
Activities
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Solid-State Chemistry Group Christmas Meeting 2021
Jonathan Skelton (Participant)
20 Dec 2021 → 21 Dec 2021Activity: Participating in or organising event(s) › Participating in a conference, workshop, exhibition, performance, inquiry, course etc
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2021 Future Leaders Fellowships (FLF) Annual Conference
Jonathan Skelton (Poster presenter)
12 Oct 2021 → 14 Oct 2021Activity: Participating in or organising event(s) › Participating in a conference, workshop, exhibition, performance, inquiry, course etc
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Internal Examiner of PhD Thesis: "Adsorption of Actinides on Mineral Surfaces"
Jonathan Skelton (Examiner)
16 Aug 2021Activity: Examination
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Theory-led design of novel skutterudite thermoelectrics
Jonathan Skelton (Speaker)
12 Jul 2021Activity: Talk or presentation › Oral presentation
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15th International conference on materials chemistry (MC15)
Jonathan Skelton (Poster presenter)
12 Jul 2021 → 15 Jul 2021Activity: Participating in or organising event(s) › Participating in a conference, workshop, exhibition, performance, inquiry, course etc
Datasets
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Data for High pressure and the control of covalency in actinide complexes M(OAr)4 (M = Th, U, Np)
Berryman, V. (Creator), Price, A. (Contributor), Ochiai, T. (Contributor), Arnold, P. (Contributor) & Kaltsoyannis, N. (Contributor), Mendeley Data, 17 Aug 2022
DOI: 10.17632/2mhj4xy8d4.1, https://data.mendeley.com/datasets/2mhj4xy8d4
Dataset
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Data for: Lattice dynamics of Pnma Sn[S(1-x)Se(x)] solid solutions: energetics, phonon spectra and thermal transport
Skelton, J. (Creator), Mendeley Data, 13 Jul 2020
DOI: 10.17632/m34bnmpkpx.1, https://data.mendeley.com/datasets/m34bnmpkpx
Dataset
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Research data for Vibronic Effects on the Quantum Tunnelling of Magnetisation in Single-Molecule Magnets
Chilton, N. (Creator), University of Manchester figshare, 18 Jan 2023
DOI: 10.48420/21892887.v1, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Vibronic_Effects_on_the_Quantum_Tunnelling_of_Magnetisation_in_Single-Molecule_Magnets/21892887/1
Dataset
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Data for Quantum Chemical Topology and Natural Bond Orbital Analysis of M-O Covalency in M(OC6H5)4 (M = Ti, Zr, Hf, Ce, Th, Pa, U, Np)
Berryman, V. (Contributor) & Kaltsoyannis, N. (Contributor), Mendeley Data, 20 May 2020
DOI: 10.17632/hhjb594rhj.1, https://data.mendeley.com/datasets/hhjb594rhj
Dataset
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Magnetic data
Chilton, N. (Creator), University of Manchester figshare, 23 Nov 2021
DOI: 10.48420/16573880.v1, https://figshare.manchester.ac.uk/articles/dataset/Magnetic_data/16573880/1
Dataset
Press/Media
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Press release for the publication: "Blood, sweat, and tears: extraterrestrial regolith biocomposites with in vivo binders"
Aled Roberts, Dominic Whittall, Rainer Breitling, Eriko Takano, Jonny Blaker, Sam Hay & Nigel Scrutton
13/09/21 → 14/09/21
16 items of Media coverage
Press/Media: Research