Dana Nachtigallová

Všechny publikace

Nejnovější publikace

Mechanistic insights into facet-dependent CO adsorption and vibrational responses on anatase TiO₂: periodic quantum-mechanical calculations

J. Vacek P. Hobza D. Nachtigallová

Journal of Molecular Modeling 32: 128 (2026)

Acetylene-Linked Phenalenyl Oligomers as a Creative Source of Extended Polyradical Character

J. R. Carvalho R. Nieman A. J. A. Aquino D. Nachtigallová H. Lischka

Journal of Coordination Chemistry 46 (25): e70240 (2025)

COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics

F. Plasser H. Lischka R. Shepard P. G. Szalay R. M. Pitzer R. L. R. Alves A. J. A. Aquino J. Autschbach M. Barbatti J. R. Carvalho J. C. V. Chagas L. González A. Hansen B. Jayee M. Kertesz F. B. C. Machado S. Matsika S. A. do Monte S. Mukherjee D. Nachtigallová R. Nieman V. P. Oliveira M. Oppel C. A. Parish J. Pittner L. G. F. dos Santos A. Scrinzi M. K. Sit R. F. K. Spada M. Thodika D. C. . A. Valente Á. Vázquez-Mayagoitia E. Ventura J. Westermayr A. Zaichenko Z. Zhang

Journal of Physical Chemistry A 129 (28): 6482–6517 (2025)

Closed-to-open-shell ground state photoswitching of thienyl-based acylhydrazones

M. Šetek V. L. P. Guerra H. Robson A. O. Geleverya O. Maxa A. Lamancová V. Eigner D. Nachtigallová J. Tarábek P. Kovaříček

Journal of Materials Chemistry A 13 (19): 9520–9526 (2025)