RECENT SCHOLAR PUBLICATIONS
- Understanding and exploiting interfacial interactions between phosphonic acid functional groups and co-evaporated perovskitesT Feeney, J Petry, A Torche, D Hauschild, B Hacene, C Wansorra, ...Matter 2024
- Host–guest interactions in framework materials: Insight from modelingM Ernst, JD Evans, G Gryn'ovaChemical Physics Reviews 4 (4) 2023
- Engineering Host–Guest Interactions in Organic Framework Materials for Drug DeliveryM Ernst, G Gryn'ovaHelvetica Chimica Acta 106 (6), e202300013 2023
- Experimental and Computational Study on the Effects of High Pressure on the Crystal Structure of Boron NitrilotriacetateF Montisci, M Ernst, P MacchiCrystal Growth & Design 23 (4), 2745-2754 2023
- Locating Guest Molecules inside Metal–Organic Framework Pores with a Multilevel Computational ApproachM Ernst, T Poreba, L Gnägi, G Gryn’ovaThe Journal of Physical Chemistry C 127 (1), 523-531 2022
- Marchettiite,(NH4) C5H3N4O3, a new organic mineral from Mount Cervandone, Devero Valley, Western–Central Alps, ItalyA Guastoni, F Nestola, F Zorzi, A Lanza, M Ernst, P Gentile, S And, ...Mineralogical Magazine 86 (6), 966-974 2022
- Pitfalls in the location of guest molecules in metal-organic frameworksT Poręba, P Macchi, M ErnstNature Communications 13 (1), 5288 2022
- Locating guest molecules inside metal-organic framework pores with a multiscale computational approachM Ernst, T Poręba, L Gngi, G Gryn'ova 2022
- Premelting Anomalies in Pyromellitic Dianhydride: Negative Thermal Expansion, Accelerated Radiation Damage, and Polymorphic Phase TransitionT Poreba, M Swiatkowski, M Ernst, G ConfalonieriThe Journal of Physical Chemistry C 126 (17), 7648-7659 2022
- Strength and Nature of Host-Guest Interactions in Metal-Organic Frameworks from a Quantum-Chemical PerspectiveM Ernst, G GannaChemPhysChem 23, e202200098 2022
- Pressure-Aided Stabilization of Pyramidal PolyiodidesT Poreba, M Swiatkowski, M Ernst, P Macchi, N CasatiThe Journal of Physical Chemistry C 125 (43), 24105-24114 2021
- Embedding-theory-based simulations using experimental electron densities for the environmentN Ricardi, M Ernst, P Macchi, TA WesolowskiActa Crystallographica Section A: Foundations and Advances 76 (5), 571-579 2020
- Analysis of crystal field effects and interactions using X-ray restrained ELMOsM Ernst, A Genoni, P MacchiJournal of Molecular Structure 1209, 127975 2020
- Frozen-Density Embedding Theory based simulations with experimental electron densitiesN Ricardi, M Ernst, P Macchi, TA WesolowskiarXiv preprint arXiv:2005.13409 2020
- A quantum crystallographic approach to study properties of molecules in crystalsM ErnstUniversitt Bern 2020
- Pressure‐Induced Polymerization and Electrical Conductivity of a PolyiodideT Poręba, M Ernst, D Zimmer, P Macchi, N CasatiAngewandte Chemie International Edition 58 (20), 6625-6629 2019
- Understanding Intermolecular Interactions in the Solid State: Approaches and Techniques, edited by D. Chopra, ch. 7M Ernst, LHR Dos Santos, A Krawczuk, P MacchiCambridge: Royal Society of Chemistry 2019
- Pressure-induced polymerization and electrical conductivity of a polyiodideP Macchi, T Poreba, M Ernst, N CasatiACTA CRYSTALLOGRAPHICA. SECTION A, FOUNDATIONS AND ADVANCES 2019
- Towards a generalized database of atomic polarizabilitiesM Ernst, LHR Dos Santos, A Krawczuk, P Macchi 2018
- Bonding in Polyiodides under High PressureM Ernst 2018