Computer-Chemie-Centrum (CCC)

Photoactive preorganized subphthalocyanine-based molecular tweezers for selective complexation of fullerenes (2020) Zango G, Krug M, Krishna S, Mariñas V, Clark T, Martinez-Diaz MV, Guldi DM, Torres T Journal article 2'-Alkynyl spin-labelling is a minimally perturbing tool for DNA structural analysis (2020) Hardwick JS, Haugland MM, El-Sagheer AH, Ptchelkine D, Beierlein F, Lane AN, Brown T, et al. Journal article EMPIRE: a highly parallel semiempirical molecular orbital program: 3: Born-Oppenheimer molecular dynamics (2020) Margraf JT, Hennemann M, Clark T Journal article Understanding and Controlling Short- A nd Long-Range Electron/Charge-Transfer Processes in Electron Donor-Acceptor Conjugates (2020) Kaur R, Possanza F, Limosani F, Bauroth S, Zanoni R, Clark T, Arrigoni G, et al. Journal article Regioselective convergent synthesis of 2-arylidene thiazolo[3,2-: A] pyrimidines as potential anti-chikungunya agents (2020) Fares M, McCosker PM, Alsherbiny MA, Willis AC, Clark T, Neyts J, Jochmans D, Keller PA Journal article Singlet Fission in Pyrene-Fused Azaacene Dimers (2019) Mora-Fuentes JP, Papadopoulos I, Thiel D, Alvarez-Boto R, Cortizo-Lacalle D, Clark T, Melle-Franco M, et al. Journal article Basal Histamine H-4 Receptor Activation: Agonist Mimicry by the Diphenylalanine Motif (2019) Wifling D, Pfleger C, Kaindl J, Ibrahim P, Kling R, Buschauert A, Gohlke H, Clark T Journal article Combining Zinc Phthalocyanines, Oligo(p-Phenylenevinylenes), and Fullerenes to Impact Reorganization Energies and Attenuation Factors (2019) Krug M, Stangel C, Zieleniewska A, Clark T, Torres T, Coutsolelos AG, Guldi DM Journal article Synthesis and density functional theory studies of azirinyl and oxiranyl functionalized isoindigo and (3Z,3′Z)-3,3′-(ethane-1,2-diylidene)bis(indolin-2-one) derivatives (2019) Khalili G, McCosker PM, Clark T, Keller PA Journal article Universal Activation Index for Class A GPCRs (2019) Ibrahim P, Wifling D, Clark T Journal article