The ΔSCF method for non-adiabatic dynamics of systems in the liquid phase von Vandaele, Eva, Mališ, Momir, Luber, Sandra

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Trajectory Surface Hopping Nonadiabatic Molecular Dynamics with Kohn–Sham ΔSCF for Condensed-Phase Systems von Mališ, Momir, Luber, Sandra

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The Role of Aqueous Solvation on the Intersystem Crossing of Nitrophenols von Vandaele, Eva, Mališ, Momir, Luber, Sandra

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A Local Diabatisation Method for Two-State Adiabatic Conical Intersections von Vandaele, Eva, Mališ, Momir, Luber, Sandra

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ΔSCF with Subsystem Density Embedding for Efficient Nonadiabatic Molecular Dynamics in Condensed-Phase Systems von Mališ, Momir, Luber, Sandra

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Spin–Orbit Couplings for Nonadiabatic Molecular Dynamics at the ΔSCF Level von Mališ, Momir, Vandaele, Eva, Luber, Sandra

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The photodissociation of solvated cyclopropanone and its hydrate explored via non-adiabatic molecular dynamics using ΔSCF von Vandaele, Eva, Mališ, Momir, Luber, Sandra

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Unraveling the Mechanisms of Nonradiative Deactivation in Model Peptides Following Photoexcitation of a Phenylalanine Residue von Mališ, Momir, Loquais, Yohan, Gloaguen, Eric, Biswal, Himansu S, Piuzzi, François, Tardivel, Benjamin, Brenner, Valérie, Broquier, Michel, Jouvet, Christophe, Mons, Michel, Došlić, Nađa, Ljubić, Ivan

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Mechanisms of Photostability in Kynurenines: A Joint Electronic-Structure and Dynamics Study von Tuna, Deniz, Došlić, Nađa, Mališ, Momir, Sobolewski, Andrzej L, Domcke, Wolfgang

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Timescales of N-H bond dissociation in pyrrole: a nonadiabatic dynamics study von Sapunar, Marin, Ponzi, Aurora, Chaiwongwattana, Sermsiri, Mališ, Momir, Prlj, Antonio, Decleva, Piero, Došlić, Nađa

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Nonradiative Relaxation Mechanisms of UV Excited Phenylalanine Residues: A Comparative Computational Study von Mališ, Momir, Došlić, Nađa

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On the Possible Role of an Intermolecular Charge Transfer State in the Excitation of the Biologically Active Bond of the Retinal Chromophore-counterion Pair von Novak, Jurica, Malis, Momir, Doslic, Nada

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Calculating CD Spectra of Flexible Peptides: An Assessment of TD-DFT Functionals von Brkljača, Zlatko, Mališ, Momir, Smith, David M, Smith, Ana-Sunčana

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Non-radiative relaxation of UV photoexcited phenylalanine residues: probing the role of conical intersections by chemical substitution von Mališ, Momir, Loquais, Yohan, Gloaguen, Eric, Jouvet, Christophe, Brenner, Valérie, Mons, Michel, Ljubić, Ivan, Došlić, Nađa

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Photoinduced Dynamics of Formic Acid Monomers and Dimers: The Role of the Double Hydrogen Bond von Novak, Jurica, Mališ, Momir, Prlj, Antonio, Ljubić, Ivan, Kühn, Oliver, Došlić, Nađa

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Fluxionality of Hydrogen Ligands in Fe(H)2(H2)(PEtPh2)3 von Došlić, Nađa, Gomzi, Vjeran, Mališ, Momir, Matanović, Ivana, Eckert, Juergen

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Very Efficient Generation of Quinone Methides through Excited State Intramolecular Proton Transfer to a Carbon Atom von Basarić, Nikola, Došlić, Nađa, Ivković, Jakov, Wang, Yu-Hsuan, Mališ, Momir, Wan, Peter

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Desmotropy, Polymorphism, and Solid-State Proton Transfer: Four Solid Forms of an Aromatic o-Hydroxy Schiff Base von Rubčić, Mirta, Užarević, Krunoslav, Halasz, Ivan, Bregović, Nikola, Mališ, Momir, Đilović, Ivica, Kokan, Zoran, Stein, Robin S., Dinnebier, Robert E., Tomišić, Vladislav

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ΔSCF with Subsystem Density Embedding for Efficient Nonadiabatic Molecular Dynamics in Condensed-Phase Systems von Mališ, Momir, Luber, Sandra

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Trajectory Surface Hopping Nonadiabatic Molecular Dynamics with Kohn–Sham ΔSCF for Condensed-Phase Systems von Mališ, Momir, Luber, Sandra

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