Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Ciancaleoni, Gianluca, Rocchigiani, Luca (2021) Assessing the Orbital Contribution in the “Spodium Bond” by Natural Orbital for Chemical Valence–Charge Displacement Analysis. Inorganic Chemistry, 60 (7) 4683-4692 doi:10.1021/acs.inorgchem.0c03650

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleAssessing the Orbital Contribution in the “Spodium Bond” by Natural Orbital for Chemical Valence–Charge Displacement Analysis
JournalInorganic Chemistry
AuthorsCiancaleoni, GianlucaAuthor
Rocchigiani, LucaAuthor
Year2021 (April 5)Volume60
Issue7
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.inorgchem.0c03650Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID13426368Long-form Identifiermindat:1:5:13426368:9
GUID0
Full ReferenceCiancaleoni, Gianluca, Rocchigiani, Luca (2021) Assessing the Orbital Contribution in the “Spodium Bond” by Natural Orbital for Chemical Valence–Charge Displacement Analysis. Inorganic Chemistry, 60 (7) 4683-4692 doi:10.1021/acs.inorgchem.0c03650
Plain TextCiancaleoni, Gianluca, Rocchigiani, Luca (2021) Assessing the Orbital Contribution in the “Spodium Bond” by Natural Orbital for Chemical Valence–Charge Displacement Analysis. Inorganic Chemistry, 60 (7) 4683-4692 doi:10.1021/acs.inorgchem.0c03650
In(2021, April) Inorganic Chemistry Vol. 60 (7) American Chemical Society (ACS)

See Also

These are possibly similar items as determined by title/reference text matching only.

Ciancaleoni, Gianluca, Belpassi, Leonardo (2020) Disentanglement of orthogonal hydrogen and halogen bonds via natural orbital for chemical valence: A charge displacement analysis. Journal of Computational Chemistry, 41 (12). 1185-1193 doi:10.1002/jcc.26165
Rocchigiani, Luca, Ciancaleoni, Gianluca, Zuccaccia, Cristiano, Macchioni, Alceo (2014) Probing the Association of Frustrated Phosphine–Borane Lewis Pairs in Solution by NMR Spectroscopy. Journal Of The American Chemical Society, 136 (1) 112-115 doi:10.1021/ja4119169
Rocchigiani, Luca, Ciancaleoni, Gianluca, Zuccaccia, Cristiano, Macchioni, Alceo (2011) Low-Temperature Kinetic NMR Studies on the Insertion of a Single Olefin Molecule into a ZrC Bond: Assessing the Counterion-Solvent Interplay. Angewandte Chemie, 123 (49). 11956-11959 doi:10.1002/ange.201105122
Rocchigiani, Luca, Ciancaleoni, Gianluca, Zuccaccia, Cristiano, Macchioni, Alceo (2011) Low-Temperature Kinetic NMR Studies on the Insertion of a Single Olefin Molecule into a ZrC Bond: Assessing the Counterion-Solvent Interplay. Angewandte Chemie International Edition, 50 (49). 11752-11755 doi:10.1002/anie.201105122
Nemykin, Victor N., Nevonen, Dustin E., Ferch, Laura S., Shepit, Michael, Herbert, David E., van Lierop, Johan (2021) Accurate Prediction of Mössbauer Hyperfine Parameters in Bis-Axially Coordinated Iron(II) Phthalocyanines Using Density Functional Theory Calculations: A Story of a Single Orbital Revealed by Natural Bond Orbital Analysis. Inorganic Chemistry, 60 (6) 3690-3706 doi:10.1021/acs.inorgchem.0c03373
Bohmann, Jonathan, Farrar, Thomas C. (1996) Natural Bond Orbital Analysis of Carbon-13 Chemical Shieldings in Acetylenes. The Journal of Physical Chemistry, 100 (7). 2646-2651 doi:10.1021/jp9525189
Diethrich, Timothy J., Zavalij, Peter Y., Gnewuch, Stephanie, Rodriguez, Efrain E. (2021) Orbital Contribution to Paramagnetism and Noninnocent Thiophosphate Anions in Layered Li2MP2S6 Where M = Fe and Co. Inorganic Chemistry, 60 (14) 10280-10290 doi:10.1021/acs.inorgchem.1c00710
Ciancaleoni, Gianluca, Macchioni, Alceo, Rocchigiani, Luca, Zuccaccia, Cristiano (2016) A PGSE NMR approach to the characterization of single and multi-site halogen-bonded adducts in solution. RSC Advances, 6 (84). 80604-80612 doi:10.1039/c6ra17455h
Ciancaleoni, Gianluca, Bertani, Roberta, Rocchigiani, Luca, Sgarbossa, Paolo, Zuccaccia, Cristiano, Macchioni, Alceo (2015) Discriminating Halogen-Bonding from Other Noncovalent Interactions by a Combined NOE NMR/DFT Approach. Chemistry - A European Journal, 21 (1). 440-447 doi:10.1002/chem.201404883
Rocchigiani, Luca, Bellachioma, Gianfranco, Ciancaleoni, Gianluca, Macchioni, Alceo, Zuccaccia, Daniele, Zuccaccia, Cristiano (2011) Synthesis, Characterization, Interionic Structure, and Self-Aggregation Tendency of Zirconaaziridinium Salts Bearing Long Alkyl Chains. Organometallics, 30. 100-114 doi:10.1021/om100827z
Nelson, Joel T., Pietro, William J. (1989) Natural bond orbital (NBO) analysis of substituent effects in borazine derivatives. Inorganic Chemistry, 28 (3) 544-548 doi:10.1021/ic00302a031
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: August 30, 2025 09:27:37
Go to top of page