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Michelle Ernst
Michelle Ernst
Verified email at chem.uzh.ch
Title
Cited by
Cited by
Year
Pressure‐Induced Polymerization and Electrical Conductivity of a Polyiodide
T Poręba, M Ernst, D Zimmer, P Macchi, N Casati
Angewandte Chemie International Edition 58 (20), 6625-6629, 2019
292019
Analysis of crystal field effects and interactions using X-ray restrained ELMOs
M Ernst, A Genoni, P Macchi
Journal of Molecular Structure 1209, 127975, 2020
232020
Structural properties and x-ray photoelectron spectroscopic study of SnO2 nanoparticles
HM Chenari, L Weinhardt, NSR Lastra, MA Ernst, F Reinert, MM Golzan, ...
Materials letters 85, 168-170, 2012
152012
Embedding-theory-based simulations using experimental electron densities for the environment
N Ricardi, M Ernst, P Macchi, TA Wesolowski
Acta Crystallographica Section A: Foundations and Advances 76 (5), 571-579, 2020
132020
Optical properties of metal–organic networks from distributed atomic polarizabilities
M Ernst, LHR Dos Santos, P Macchi
CrystEngComm 18 (38), 7339-7346, 2016
122016
Strength and Nature of Host-Guest Interactions in Metal-Organic Frameworks from a Quantum-Chemical Perspective
M Ernst, G Ganna
ChemPhysChem 23, e202200098, 2022
102022
Understanding Intermolecular Interactions in the Solid State: Approaches and Techniques, edited by D. Chopra, ch. 7
M Ernst, LHR Dos Santos, A Krawczuk, P Macchi
Cambridge: Royal Society of Chemistry, 2019
52019
Pitfalls in the location of guest molecules in metal-organic frameworks
T Poręba, P Macchi, M Ernst
Nature Communications 13 (1), 5288, 2022
42022
Locating Guest Molecules inside Metal–Organic Framework Pores with a Multilevel Computational Approach
M Ernst, T Poreba, L Gnägi, G Gryn’ova
The Journal of Physical Chemistry C 127 (1), 523-531, 2022
32022
Towards a generalized database of atomic polarizabilities
M Ernst, LHR Dos Santos, A Krawczuk, P Macchi
32018
Host–guest interactions in framework materials: Insight from modeling
M Ernst, JD Evans, G Gryn'ova
Chemical Physics Reviews 4 (4), 2023
22023
Engineering Host–Guest Interactions in Organic Framework Materials for Drug Delivery
M Ernst, G Gryn'ova
Helvetica Chimica Acta 106 (6), e202300013, 2023
22023
Experimental and Computational Study on the Effects of High Pressure on the Crystal Structure of Boron Nitrilotriacetate
F Montisci, M Ernst, P Macchi
Crystal Growth & Design 23 (4), 2745-2754, 2023
22023
Pressure-Aided Stabilization of Pyramidal Polyiodides
T Poreba, M Swiatkowski, M Ernst, P Macchi, N Casati
The Journal of Physical Chemistry C 125 (43), 24105-24114, 2021
22021
Locating guest molecules inside metal-organic framework pores with a multiscale computational approach
M Ernst, T Poręba, L Gnägi, G Gryn'ova
12022
Premelting Anomalies in Pyromellitic Dianhydride: Negative Thermal Expansion, Accelerated Radiation Damage, and Polymorphic Phase Transition
T Poreba, M Swiatkowski, M Ernst, G Confalonieri
The Journal of Physical Chemistry C 126 (17), 7648-7659, 2022
12022
Understanding and exploiting interfacial interactions between phosphonic acid functional groups and co-evaporated perovskites
T Feeney, J Petry, A Torche, D Hauschild, B Hacene, C Wansorra, ...
Matter, 2024
2024
Marchettiite,(NH4) C5H3N4O3, a new organic mineral from Mount Cervandone, Devero Valley, Western–Central Alps, Italy
A Guastoni, F Nestola, F Zorzi, A Lanza, M Ernst, P Gentile, S Andò, ...
Mineralogical Magazine 86 (6), 966-974, 2022
2022
Frozen-Density Embedding Theory based simulations with experimental electron densities
N Ricardi, M Ernst, P Macchi, TA Wesolowski
arXiv preprint arXiv:2005.13409, 2020
2020
A quantum crystallographic approach to study properties of molecules in crystals
M Ernst
Universität Bern, 2020
2020
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Articles 1–20