Bistoni Group
@BistoniGroup
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asymmetric/electro catalysis, bio-systems, and much more -- focusing on local correlation computations to study non-covalent interactions @UniPerugiaNews
Perugia, Italy
Joined July 2024
Unlock molecular control with ADLD!.Break down London dispersion forces, reveal molecular processes in atomic resolution, enable precise design, prediction & control of molecular behavior. Out now in @ACSCentSci 🗞️.@53d19c66ac2f4a1.#OpenAccess.#OpenScience
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RT @ccdc_cambridge: Published by @WengerOliver and team, a series of photoluminescent Mo(0) complexes that represent abundant alternatives….
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RT @wojcieszakr: Lorraine ChemFusion will merge experimental and theoretical aspects of photocatalysis! @BistoniGroup from University of Pe….
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RT @angew_chem: A Generally Applicable Method for Disentangling the Effect of Individual Noncovalent Interactions on the Binding Energy (Gi….
onlinelibrary.wiley.com
A fragment-pairwise Local Energy Decomposition (fp-LED) Scheme is introduced for precise quantification of individual interactions within complex molecular systems. Applications across diverse...
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Dirhodium paddlewheel complexes: carbene formation or cyclopropanation as the RDS? Read all about it in @J_A_C_S to find out. A collaboration with the Fürstner Group at MPI-KOFO.#OpenScience #OpenAccess .
pubs.acs.org
Carboxamidates as equatorial ligands in dirhodium paddlewheel catalysts are widely believed to increase selectivity at the expense of reactivity. The results of the combined experimental and comput...
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Network control of photochemical isomerization: exploiting connected rate constants to enable multisite editing at the boundary of chemistry and biology, in collab w/ Eugene Kwan @Merck, @AlisonWendlandt @ChemistryMIT and @faccts_orca @ScienceMagazine .
science.org
Stereochemical editing strategies have recently enabled the transformation of readily accessible substrates into rare and valuable products. Typically, site selectivity is achieved by minimizing...
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hot off the press📰@ACSCentSci, in collaboration with the Raines (@rtraines) and Cummins (@ccclabmit) groups @MIT @ChemistryMIT, we use a multi-layer approach to model the entire biosystem and probe the ligand binding interactions with LED analysis.#ORCA.
pubs.acs.org
Pentametaphosphate is the little studied cyclic pentamer of the metaphosphate ion, [PO3]55–. We show that the doubly protonated form of this pentamer can be selectively dehydrated to provide the...
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Want to know more about Local Energy Decomposition analysis of London dispersion effects? Check out our latest review on LED from simple dimers to complex biomolecular assemblies.#OpenAccess #OpenScience.@ACSPublications @faccts_orca.
pubs.acs.org
ConspectusLondon dispersion (LD) forces are ubiquitous in chemistry, playing a pivotal role in a wide range of chemical processes. For example, they influence the structure of molecular crystals, the...
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