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Molecular Simulation Volume 47, 2021 - Issue 14
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Controversies about hydrogen bonds in water molecules on the influence of high magnetic fields: implications on structural and electronic parameters

Evelyn J. L. Toledoa Instituto de Química, Universidade de Brasília, Brasília, BrazilView further author information
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Teodorico C. Ramalhob Chemistry Department, Federal University of Lavras, Lavras, Brazil;c Center for Basic and Applied Research, Faculty of Informatics and Management, University Hradec Kralove, Hradec Kralove, Czech RepublicCorrespondence[email protected]
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Pages 1159-1167 | Received 28 Mar 2021, Accepted 15 Jul 2021, Published online: 04 Aug 2021

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Tom J. P. Irons, Bang C. Huynh, Andrew M. Teale, Frank De Proft & Paul Geerlings. (2022) Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study. Molecular Physics 0:0.
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Letícia Santos Braga, Daniel Henriques Soares Leal & Teodorico Castro Ramalho. (2022) Rationalising the regioselectivity of substituted phenols from the FERMO concept: stereoelectronic effects on protonation and functionalization. Molecular Simulation 48:7, pages 610-620.
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Gustavo A. Andolpho, Elaine F. F. da Cunha & Teodorico C. Ramalho. (2022) Exploring EPR Parameters of 187Re Complexes for Designing New MRI Probes: From the Gas Phase to Solution and a Model Protein Environment. Journal of Chemistry 2022, pages 1-8.
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