On the importance of halogen–halogen interactions in the solid state of fullerene halides: A combined theoretical and crystallographic study
A Bauzá, A Frontera - Crystals, 2017 - mdpi.com
In this manuscript, we combined DFT (Density Functional Theory) calculations (BP86-
D3/def2-TZVP level of theory) and a search in the CSD (Cambridge Structural Database) to …
D3/def2-TZVP level of theory) and a search in the CSD (Cambridge Structural Database) to …
Halogen⋯ halogen interactions in diiodo-xylenes
E Albright, J Cann, A Decken, S Eisler - CrystEngComm, 2017 - pubs.rsc.org
Halogen⋯halogen interactions in diiodo-xylenes - CrystEngComm (RSC Publishing) DOI:10.1039/C6CE02339H
Royal Society of Chemistry View PDF VersionPrevious ArticleNext Article Check for updates …
Royal Society of Chemistry View PDF VersionPrevious ArticleNext Article Check for updates …
Molecular Dynamics of Steroidal Rotors Probed by Theoretical, Spectroscopic and Dielectric Methods
K Olszewska, A Mizera, P Ławniczak… - … A European Journal, 2024 - Wiley Online Library
Our study focuses on molecular rotors with fast‐moving rotators and their potential
applications in the development of new amphidynamic crystals. Steroidal molecular rotors …
applications in the development of new amphidynamic crystals. Steroidal molecular rotors …
Substituent effects in multivalent halogen bonding complexes: A combined theoretical and crystallographic study
A Bauzá, D Quiñonero, A Frontera - Molecules, 2017 - mdpi.com
In this manuscript, we combined ab initio calculations (RI-MP2/def2-TZVPD level of theory)
and a search in the CSD (Cambridge Structural Database) to analyze the influence of …
and a search in the CSD (Cambridge Structural Database) to analyze the influence of …
Direct metal‐free preparation of functionalizable polylactic acid‐ethisterone conjugates in a one‐pot approach
SH Luo, YC Wu, L Cao, JY Lin, J Gao… - Macromolecular …, 2019 - Wiley Online Library
A series of polylactic acid (PLA) conjugates (PLA‐ES) are synthesized via direct melt
polycondensation (DMP) of lactic acid (LA) with ethisterone (ES) in the presence of 0.3 wt …
polycondensation (DMP) of lactic acid (LA) with ethisterone (ES) in the presence of 0.3 wt …
Asymmetric molecular rotors based on steroidal fragments. Organic building blocks displaying versatile supramolecular steroid-stacking interactions
ME Ochoa, R Arcos-Ramos… - Crystal Growth & …, 2019 - ACS Publications
The synthesis, characterization, and crystal structure analysis of five new steroidal molecular
rotors constructed from two different building blocks, viz., mestranol, ethynylestradiol …
rotors constructed from two different building blocks, viz., mestranol, ethynylestradiol …
The role of non-covalent intermolecular interactions on the diversity of crystal packing in supramolecular dihalopyridine–silver (I) nitrate complexes
Six novel 1: 2 complexes of silver (I) nitrate with 2, 5-, 2, 6-and 3, 5-dihalopyridines (halo
stands for chlorine and bromine) were prepared by the reaction of an aqueous solution of …
stands for chlorine and bromine) were prepared by the reaction of an aqueous solution of …
TiCl4 catalyzed cleavage of (25R)-22-oxo-23-spiroketals. Synthesis of sapogenins with furostanol and pyranone E rings on the side chain
A Corona-Díaz, JP García-Merinos, ME Ochoa… - Steroids, 2019 - Elsevier
The regioselective opening of the F ring of 22-oxo-23-spiroketals 7a-d using TiCl 4 in acetic
anhydride yielded the novel furostanols 11a-d along with cholestanic derivatives 8a-d with …
anhydride yielded the novel furostanols 11a-d along with cholestanic derivatives 8a-d with …
Substituent Effects in Multivalent Bonding Complexes: A Combined and Crystallographic Study Halogen Theoretical.
A Bauzá, D Quiñonero, A Frontera - Molecules, 2018 - search.ebscohost.com
In this manuscript, we combined ab initio calculations (RI-MP2/def2-TZVPD level of theory)
and a search in the CSD (Cambridge Structural Database) to analyze the influence of …
and a search in the CSD (Cambridge Structural Database) to analyze the influence of …
[PDF][PDF] Synthesis and electronic properties of dibenzothieno-isoindole dione building blocks for organic electronic devices
E Albright - 2017 - unbscholar.lib.unb.ca
The ability to control the physical and electronic properties of conjugated polymers and
small molecules has led to considerable focus on developing new electron-accepting (EA) …
small molecules has led to considerable focus on developing new electron-accepting (EA) …