검색결과 : 13건
| No. | Article |
|---|---|
| 1 |
Investigating Complex Magnetic Anisotropy in a Co(II) Molecular Compound: A Charge Density and Correlated Ab Initio Electronic Structure Study Damgaard-Moller E, Krause L, Lassen H, Malaspina LA, Grabowsky S, Bamberger H, McGuire J, Miras HN, Sproules S, Overgaard J Inorganic Chemistry, 59(18), 13190, 2020 |
| 2 |
Proximity Enforced Agostic Interactions Involving Closed-Shell Coinage Metal Ions Hupf E, Malaspina LA, Holsten S, Kleemiss F, Edwards AJ, Price JR, Kozich V, Heyne K, Mebs S, Grabowsky S, Beckmann J Inorganic Chemistry, 58(24), 16372, 2019 |
| 3 |
Linear MgCp2* vs Bent CaCp2*: London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C-H center dot center dot center dot Ca Interactions Pal R, Mebs S, Shi MW, Jayatilaka D, Krzeszczakowska JM, Malaspina LA, Wiecko M, Luger P, Hesse M, Chen YS, Beckmann J, Grabowsky S Inorganic Chemistry, 57(9), 4906, 2018 |
| 4 |
Tuning the Optoelectronic Properties of Stannoles by the Judicious Choice of the Organic Substituents Medina IMRY, Rohdenburg M, Mostaghimi F, Grabowsky S, Swiderek P, Beckmann J, Hoffmann J, Dorcet V, Hissler M, Staubitz A Inorganic Chemistry, 57(20), 12562, 2018 |
| 5 |
&ITSyn &ITvs &ITAnti &ITCarboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis Pal R, Reddy MBM, Dinesh B, Venkatesha MA, Grabowsky S, Jelsch C, Row TNG Journal of Physical Chemistry A, 122(14), 3665, 2018 |
| 6 |
Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth Bucinsky L, Jayatilaka D, Grabowsky S Journal of Physical Chemistry A, 120(33), 6650, 2016 |
| 7 |
Oxygen Transfer from an Intramolecularly Coordinated Diaryltellurium Oxide to Acetonitrile. Formation and Combined AIM and ELI-D Analysis of a Novel Diaryltellurium Acetimidate Mallow O, Bolsinger J, Finke P, Hesse M, Chen YS, Duthie A, Grabowsky S, Luger P, Mebs S, Beckmann J Journal of the American Chemical Society, 136(31), 10870, 2014 |
| 8 |
Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes Mebs S, Kalinowski R, Grabowsky S, Forster D, Kickbusch R, Justus E, Morgenroth W, Paulmann C, Luger P, Gabel D, Lentz D Inorganic Chemistry, 50(1), 90, 2011 |
| 9 |
Charge Transfer via the Dative N-B Bond and Dihydrogen Contacts. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes Mebs S, Kalinowski R, Grabowsky S, Forster D, Kickbusch R, Justus E, Morgenroth W, Paulmann C, Luger P, Gabel D, Lentz D Journal of Physical Chemistry A, 115(8), 1385, 2011 |
| 10 |
Reactivity Differences between alpha,beta-Unsaturated Carbonyls and Hydrazones Investigated by Experimental and Theoretical Electron Density and Electron Localizability Analyses Grabowsky S, Weber M, Jayatilaka D, Chen YS, Grabowski MT, Brehme R, Hesse M, Schirmeister T, Luger P Journal of Physical Chemistry A, 115(45), 12715, 2011 |