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Theoretical insights into the oxidation of substrates by high-spin iron(III)-acylperoxido complexes by Velmurugan, Gunasekaran (Author) , Comba, Peter (Author) ,

• Verlag, kostenfrei, Volltext
• Verlag, kostenfrei, Volltext

The impact of donor-orientation on the emission properties of chlorinated trityl radicals by Arnold, Mona E. (Author) , Toews, Robert (Author) , Schneider, Lars (Author) , Schmid, Jonas (Author) , Putra, Miftahussurur Hamidi (Author) , Busch, Michael (Author) , Groß, Axel (Author) , Deschler, Felix (Author) , Köhn, Andreas (Author) , Kuehne, Alexander J. C. (Author) ,

• Verlag, kostenfrei, Volltext
• Verlag, kostenfrei, Volltext

Mechanistic insights into amphoteric reactivity of an iron-bispidine complex by Mukherjee, Gourab (Author) , Velmurugan, Gunasekaran (Author) , Kerscher, Marion (Author) , Kumar Satpathy, Jagnyesh (Author) , Sastri, Chivukula V. (Author) , Comba, Peter (Author) ,

• Verlag, lizenzpflichtig, Volltext
• Verlag, lizenzpflichtig, Volltext

(Tc(NO)(Cp)(PPh3)Cl) and (Tc(NO)(Cp)(PPh3)(NCCH3))(PF6), and their reactions with pyridine and chalcogen donors by Ernst, Moritz (Author) , Abdulkader, Abdullah (Author) , Hagenbach, Adelheid (Author) , Claude, Guilhem (Author) , Roca Jungfer, Maximilian (Author) , Abram, Ulrich (Author) ,

• Verlag, kostenfrei, Volltext
• Verlag, kostenfrei, Volltext

Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches by Patel, Prajay (Author) , Chung, Joseph (Author) , Bowman, Max Aksel (Author) , Ulusoy, Inga (Author) , Wilson, Angela K. (Author) ,

• Verlag, kostenfrei, Volltext
• Verlag, kostenfrei, Volltext

Uranium-mediated thiourea/urea conversion on chelating ligands by Njiki Noufele, Christelle (Author) , Roca Jungfer, Maximilian (Author) , Hagenbach, Adelheid (Author) , Nguyen, Hung Huy (Author) , Abram, Ulrich (Author) ,

• Verlag, kostenfrei, Volltext
• Verlag, kostenfrei, Volltext

Natural abiotic iron-oxido-mediated formation of C1 and C2 compounds from environmentally important methyl-substituted substrates by Hädeler, Jonas (Author) , Velmurugan, Gunasekaran (Author) , Lauer, Rebekka (Author) , Radhamani, Rejith (Author) , Keppler, Frank (Author) , Comba, Peter (Author) ,

• Verlag, lizenzpflichtig, Volltext
• Verlag, lizenzpflichtig, Volltext

Rebound or cage escape?: the role of the rebound barrier for the reactivity of non-heme high-valent FeIV=O species by Kumar, Ravi (Author) , Ansari, Azaj (Author) , Comba, Peter (Author) , Rajaraman, Gopalan (Author) ,

• Verlag, kostenfrei, Volltext
• Verlag, kostenfrei, Volltext

A bowl-shaped phenoxido-bridged binuclear zinc complex: experimental and theoretical studies by Azam, Mohammad (Author) , Velmurugan, Gunasekaran (Author) , Trzesowska-Kruszynska, Agata (Author) , Al-Resayes, Saud I. (Author) , Kruszynski, Rafal (Author) , Venuvanalingam, Ponnambalam (Author) ,

• Verlag, lizenzpflichtig, Volltext
• Verlag, lizenzpflichtig, Volltext

Insights into the design of inhibitors of the EGFR family with anticancer activity overcoming resistance: a case of optimizing thieno[2,3-d]pyrimidine-based EGFR inhibitors by Milik, Sandra (Author) , Abdel-Aziz, Amal Kamal (Author) , El-Hendawy, Morad M. (Author) , El-Gogary, Riham I. (Author) , Saadeldin, Mona Kamal (Author) , Minucci, Saverio (Author) , Klein, Christian D. (Author) , Abouzid, Khaled A. M. (Author) ,

• Verlag, lizenzpflichtig, Volltext
• Verlag, lizenzpflichtig, Volltext

Synthesis,magnetic properties, and catalytic properties of a nickel(II)-dependent biomimetic of metallohydrolases by Horn, Adolfo, Jr. (Author) , Englert, Daniel (Author) , Roberts, Asha E. (Author) , Comba, Peter (Author) ,

• Verlag, Volltext
• Verlag, Volltext

Enantiomerization of allylic trifluoromethyl sulfoxides studied by HPLC analysis and DFT calculations by Bailly, Laetitia (Author) , Petit, Emilie (Author) , Maeno, Mayaka (Author) , Shibata, Norio (Author) , Trapp, Oliver (Author) , Cardinael, Pascal (Author) , Chataigner, Isabelle (Author) , Cahard, Dominique (Author) ,

• Verlag, lizenzpflichtig, Volltext
• Verlag, lizenzpflichtig, Volltext

Probing chemical environment with molecular double core-hole electron spectroscopy by Takahashi, Osamu (Author) , Kryzhevoi, Nikolai V. (Author) , Ueda, Kiyoshi (Author) ,

• Verlag, lizenzpflichtig, Volltext
• Verlag, lizenzpflichtig, Volltext

Quantifying building principles of Borane clusters by Hofmann, Matthias (Author)

• Verlag, lizenzpflichtig, Volltext

How or not to calculate Ni(II) Werner-type complexes: evaluation of quantum chemical methods by Walther, Markus (Author) , Alzubi, Basam M. (Author) , Puchta, Ralph (Author) , Linti, Gerald W. (Author) , Meier, Roland (Author) , Van Eldik, Rudi (Author) ,

• Verlag, lizenzpflichtig, Volltext

Theoretical study of weak CC double bond coordination in a gold (I) catalyst precursor by Touil, Mhamed (Author) , Bechem, Benjamin (Author) , Hashmi, A. Stephen K. (Author) , Engels, Bernd (Author) , Omary, Mohammad A. (Author) , Rabaâ, Hassan (Author) ,

• Verlag, lizenzpflichtig, Volltext
• Verlag, lizenzpflichtig, Volltext

Experimental and theoretical study of the polynuclear bismuth compounds: dimers, clusters, molecular self-assemblies and polyhedral cage molecules by Monakhov, Kirill (Author)

• Resolving-System, kostenfrei, Volltext
• Langzeitarchivierung Nationalbibliothek, Volltext
• Verlag, kostenfrei, Volltext

Inorganic and bioinorganic molecular mechanics modeling: the problem of the force field parameterization by Comba, Peter (Author) , Remenyi, Rainer (Author) ,

• Verlag, Pay-per-use, Volltext
• Verlag, Pay-per-use, Volltext

A new molecular mechanics force field for the oxidized form of blue copper proteins by Comba, Peter (Author) , Remenyi, Rainer (Author) ,

• Verlag, Pay-per-use, Volltext
• Verlag, Pay-per-use, Volltext