x

Familiengründung mittels Eizellspende : Zur Ethik einer reproduktionsmedizinischen Praxis in der liberalen Gesellschaft [Electronic book] / Clemens Heyder.

Berlin ; Boston : De Gruyter, [2023]




x

Exploring Past Images in a Digital Age : Reinventing the Archive [Electronic book] / Nezih Erdogan, Ebru Kayaalp.

[s.l.] : Amsterdam University Press, 2023.




x

The experience of occupation in the Nord, 1914-18 : Living with the enemy in First World War France [Electronic book] / James E. Connolly.

Manchester : Manchester University Press, [2018]




x

The epistle of James [Electronic book] : linguistic exegesis of an early Christian letter / edited by James D. Dvorak and Zachary K. Dawson.

Eugene, Oregon : Pickwick Publications ; Hamilton, Canada : McMaster Divinity College Press, [2019]




x

The entangled legacies of empire : Race, finance and inequality [Electronic book] / ed. by Johnna Montgomerie, Max Haiven, Paul Gilbert, Clea Bourne.

Manchester : Manchester University Press, [2023]




x

Educational research : quantitative, qualitative, and mixed approaches [Electronic book] / R. Burke Johnson, Larry Christensen.

Los Angeles : SAGE, [2020]




x

Ecology and Management of the African Buffalo [Electronic book] / edited by Alexandre Caron, Daniel Cornélis, Philippe Chardonnet, Herbert H. T. Prins.

Cambridge : Cambridge University Press, 2023.




x

Early Anglo-Saxon cemeteries : Kinship, community and identity [Electronic book] / Duncan Sayer.

Manchester : Manchester University Press, [2020]




x

Duplex regnum Christi : Christ's twofold kingdom in reformed theology [Electronic book] / by Jonathon D. Beeke.

Leiden ; Boston : Brill, [2021]




x

Disability in industrial Britain : A cultural and literary history of impairment in the coal industry, 1880-1948 [Electronic book] / Kirsti Bohata, Alexandra Jones, Mike Mantin, Steven Thompson.

Manchester : Manchester University Press, [2020]




x

Der montierte Fluss : Donaunarrative in Text, Film und Fotografie [Electronic book] / Anton Holzer.

[s.l.] : Franz Steiner Verlag, 2023.




x

Delta Life : Exploring Dynamic Environments where Rivers Meet the Sea [Electronic book] / ed. by Franz Krause, Mark Harris.

New York; Oxford : Berghahn Books, [2021]




x

Contextualizing Disaster [Electronic book] / ed. by Gregory V. Button, Mark Schuller.

New York; Oxford : Berghahn Books, [2016]




x

Circulations in the global history of art [Electronic book] / edited by Thomas DaCosta Kaufmann, Catherine Dossin, and Béatrice Joyeux-Prunel.

Abingdon, Oxon ; New York, NY : Routledge, 2016.




x

China-Africa relations : building images through cultural cooperation, media representation and communication [Electronic book] / edited by Kathryn Batchelor and Xiaoling Zhang.

Abingdon, Oxon : Routledge, 2017.




x

Case studies and theory development in the social sciences [Electronic book] / Alexander L. George and Andrew Bennett.

Cambridge, Massachusetts : MIT Press, [2005]




x

The Canino connections : the history and restoration of ancient Greek vases from the excavations of Lucien Bonaparte, Prince of Canino (1775-1840) [Electronic book] / edited by Ruurd Binnert Halbertsma.

Leiden : SIdestone Press, [2017]




x

The Canaanites : their history and culture from texts and artifacts [Electronic book] / Mary Ellen Buck.

Eugene, Oregon : Cascade Books, [2019]




x

The Black Geographic : Praxis, Resistance, Futurity [Electronic book] / ed. by Camilla Hawthorne, Jovan Scott Lewis.

Durham : Duke University Press, [2023]




x

Between two millstones. Book 1, Sketches of Exile, 1974-1978 [Electronic book] / Aleksandr Solzhenitsyn ; translated from the Russian by Peter Constantine.

Notre Dame, Indiana : University of Notre Dame Press, [2018]




x

Der Beibringungsgrundsatz : Eine Rechtfertigung unter besonderer Berücksichtigung der Passivität der nicht beweisbelasteten Partei [Electronic book] / Alexander Morell.

[s.l.] : Mohr Siebeck GmbH & Co. KG, 2023.




x

Beckett and media [Electronic book] / ed. by Mark Nixon, Philipp Schweighauser, Balazs Rapcsak.

Manchester : Manchester University Press, [2022]




x

Ay-Inversion in Tagalog : Information Structure and Morphosyntax of an Austronesian Language [Electronic book] / Patrick Nuhn.

Düsseldorf : düsseldorf university press, [2021]




x

The autonomous life? : Paradoxes of hierarchy and authority in the squatters movement in Amsterdam [Electronic book] / Nazima Kadir.

Manchester : Manchester University Press, [2016]




x

Applied text analysis with Python : enabling language-aware data products with machine learning [Electronic book] / Benjamin Bengfort, Rebecca Bilbro, and Tony Ojeda.

Sebastopol : O'Reilly Media, 2018.




x

Anwaltliche Berufsausübung im Dienste des Rechtsstaats : Eine grundrechtsdogmatische deutsch-französische Studie [Electronic book] / Maximilian Gerhold.

[s.l.] : Mohr Siebeck GmbH & Co. KG, 2023.




x

An Anthropology of Intellectual Exchange : Interactions, Transactions and Ethics in Asia and Beyond [Electronic book] / ed. by Jacob Copeman, Lam Minh Chau, Joanna Cook, Nicholas J. Long, Magnus Marsden.

New York; Oxford : Berghahn Books, [2023]




x

Anthropologies of modernity : Foucault, governmentality, and life politics [Electronic book]/ edited by Jonathan Xavier Inda.

Malden, MA : Blackwell Publishing, 2005.




x

Annual review of comparative and international education 2021. Part B [Electronic book] / edited by Alexander W. Wiseman.

Bingley : Emerald Publishing Limited, 2022.




x

Alys, Always [Electronic book] / Harriet Lane, adapted by Lucinda Coxon.

London : Nick Hern Books, 2019.




x

All in the mix : Race, class and school choice [Electronic book] / Carla De Tona, Bridget Byrne.

Manchester : Manchester University Press, [2019]




x

Aging Experiments : Futures and Fantasies of Old Age [Electronic book] / João Paulo Guimarães.

[s.l.] : transcript Verlag, 2023.




x

Academic women : voicing narratives of gendered experiences [Electronic book] / [edited by] Michelle Ronksley-Pavia, Michelle M. Neumann, Jane Manakil and Kelly Pickard-Smith.

London [England] : Bloomsbury Academic, 2022.




x

Abundance : Sexuality's History [Electronic book] / Anjali Arondekar.

Durham : Duke University Press, [2023]




x

Spinless formulation of linearized adiabatic connection approximation and its comparison with second order N-electron valence state perturbation theory

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00054D, Paper
Yang Guo, Katarzyna Pernal
The adiabatic connection (AC) approximation, along with its linearized variant AC0, was introduced as a method of obtaining dynamic correlation energy. When using a complete active space self-consistent field (CASSCF)...
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x

A Perspective on the Future of Quantum Chemical Software: The Example of the ORCA Program Package

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00056K, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Frank Neese
TBC
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x

Chain-length dependent organisation in mixtures of hydrogenous and fluorous ionic liquids

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00047A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Naomi Elstone, Emily Shaw, Karina Shimizu, Joshua Lai, Bruno Demé, Paul Lane, Matthew L Costen, Kenneth G McKendrick, Sarah Elizabeth Youngs, Sarah E. Rogers, Jose Nuno Canongia Lopes, Duncan W Bruce, John M. Slattery
As part of an ongoing study of the structure and properties of mixtures of ionic liquids in which one component has a hydrocarbon chain and the other a semiperfluorocarbon chain,...
The content of this RSS Feed (c) The Royal Society of Chemistry




x

Dispersions of magnetic nanoparticles in Water/ Ionic Liquid mixtures

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00028E, Paper
Thiago Fiuza, Mitradeep Sarkar, Jesse Cornelius Riedl, Fabrice Cousin, Gilles Demouchy, Jerome Depeyrot, Emmanuelle Dubois, Regine Perzynski, Veronique Peyre
Nanoparticles (NPs) of iron oxide are dispersed in mixtures of water and ionic liquid, here ethylammonium nitrate (EAN) and the interactions NP/NP and NP/solvent are studied. They are analysed by...
The content of this RSS Feed (c) The Royal Society of Chemistry




x

Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00029C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jake Seymour, Ekaterina Gousseva, Frances Towers Tompkins, Lewis Parker, Najaat Alblewi, Coby James Clarke, Shusaku Hayama, Robert Palgrave, Roger Bennett, Richard Paul Matthews, Kevin R. J. Lovelock
Using a combination of liquid-phase experimental X-ray spectroscopy experiments and small-scale calculations we have gained new insights into the speciation of halozincate anions in ionic liquids (ILs). Both core and...
The content of this RSS Feed (c) The Royal Society of Chemistry




x

Orbital optimisation in xTC transcorrelated methods

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00036F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Daniel Kats, Evelin Martine Corvid Christlmaier, Thomas Schraivogel, Ali Alavi
We present a combination of the bi-orthogonal orbital optimisation framework with the recently introduced xTC version of transcorrelation. This allows us to implement non-iterative perturbation based methods on top of...
The content of this RSS Feed (c) The Royal Society of Chemistry




x

Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00039K, Paper
Erika Magnusson, Aaron Fitzpatrick, Stefan Knecht, Martin Rahm, Werner Dobrautz
The near-term utility of quantum computers is hindered by hardware constraints in the form of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease the...
The content of this RSS Feed (c) The Royal Society of Chemistry




x

Quantum Embedding for Molecules with Auxiliary Particles - The Ghost Gutzwiller Ansatz

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00053F, Paper
Carlos Mejuto-Zaera
Strong/static electronic correlation mediates the emergence of remarkable phases of matter, and underlies the exceptional reactivity properties in transition metal-based catalysts. Modeling strongly correlated molecules and solids calls for multi-reference...
The content of this RSS Feed (c) The Royal Society of Chemistry




x

Synergistic Fe,Ce doping of Ni3S2 for enhancing oxygen evolution reaction performance

Inorg. Chem. Front., 2024, 11,7623-7632
DOI: 10.1039/D4QI02187H, Research Article
Yu He, Kefan Shi, Xueqin Wang, Xingzi Zheng, Lanke Luo, Liu Lin, Zemin Sun, Genban Sun
Fe,Ce-Ni3S2@NF nanoneedle catalysts synthesised via a one-step hydrothermal route showed good OER performance.
The content of this RSS Feed (c) The Royal Society of Chemistry




x

A solvent-free neutral cobalt complex exhibiting macroscopic polarization switching induced by directional charge transfer

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01389A, Research Article
Zi-Qi Zhou, Shu-Qi Wu, Qi-Rui Shui, Wen-Wei Zheng, Akari Maeda, Xiao-Peng Zhang, Jing Chu, Shinji Kanegawa, Sheng-Qun Su, Osamu Sato
A solvent-free neutral cobalt complex featuring a non-centrosymmetric polar structure exhibits macroscopic polarization switching induced by charge transfer.
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Multifunctional core–shell CaSnO3@N-doped carbon coaxial nanocables with excellent lithium storage performance and efficient microwave absorption

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02264E, Research Article
Xiaoqiang Li, Guangguang Guan, Siyi Tong, Xin Chen, Kaiyin Zhang, Jun Xiang
It is highly desirable but challenging to design multi-functional materials for energy storage and electromagnetic (EM) wave absorption.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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x

Near-infrared-II photothermal conversion and magnetic dynamic regulation in [Ln3Rad2] aggregation by rigidity modification of nitronyl nitroxide

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01952K, Research Article
Hongdao Li, Chaoyi Jin, Jing Han, Jianke Tang, Xiaofeng Han, Zhenjun Song
Nitronyl nitroxide in Ln(III) multi-spin clusters has been utilized for realizing the regulation of NIR-II photothermal conversion and magnetic dynamics.
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Amorphous MoaZr0.8Ox-500 catalyzed selective oxidation of sulfides to sulfoxides mediated by 1O2 from direct heterolytic cleavage of H2O2

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02008A, Research Article
Tong Li, Jiaheng Qin, Xueyao Zhang, Xiaoqi Tang, Mingzhe Lv, Weiwen Mao, Linkun Dong, Tongtong Fan, Yu Long, Jiantai Ma
Sulfoxides, a class of pharmaceuticals and fine chemicals of significant importance, are readily peroxidized to sulfones in the H2O2 system.
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x

Vibrational analysis of auranofin complexes with cysteine and selenocysteine unveils distinct binding motifs and specific unimolecular reactivity

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02023E, Research Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Roberto Paciotti, Davide Corinti, Cecilia Coletti, Nazzareno Re, Giel Berden, Jos Oomens, Simonetta Fornarini, Maria Elisa Crestoni
The [(Et3P)AuCys]+ and [(Et3P)AuSec]+ ions and their deamination products were characterized using IRMPD spectroscopy backed by DFT calculations finding differences in binding motifs and reactivity.
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Engineering a pyrene MOF composite photocatalyst toward the formation of carbon dioxide radical anions through regulating the charge transfer from type II to Z scheme via a chemical bond-modulated strategy

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02072C, Research Article
Xin Zhao, Yajun Zhao, Yuan-Peng Li, Pengbo Lyu, Chunying Chen, Zong-Wen Mo, Chao Peng, Jiewei Liu, Li Zhang
A new approach was reported for regulating the charge transfer mechanism in a pyrene-based MOF composite, transitioning from a type-II to a Z-scheme configuration.
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Sulfonylcalix[4]arene-based Al4 clusters: three aluminum oxo clusters with different coordinated solvents for the CO2 cycloaddition reaction

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02096K, Research Article
Xiao-Jie Liu, Long-Xue Guo, Wei Xu, Ya-Wen Wang, Yuan-Hang Tian, Li-Xing Zhao, Xiao-Yu Li, Jin-Hua Li, Guo-Ming Wang
By using a macrocyclic H4BTC4A-SO2 ligand, we successfully synthesized three Al4 clusters with different solvents, which exhibit different potentials to expose metal active sites for the catalytic reaction. of cycloaddition of carbon dioxide.
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