Multireference Approaches for Excited States of Molecules
Lischka, Hans, Nachtigallová, Dana, Aquino, Adélia J. A, Szalay, Péter G, Plasser, Felix, Machado, Francisco B. C, Barbatti, Mario
Published in Chemical reviews (08.08.2018)
Published in Chemical reviews (08.08.2018)
Get full text
Journal Article
Decreased carbon accumulation feedback driven by climate‐induced drying of two southern boreal bogs over recent centuries
Zhang, Hui, Väliranta, Minna, Piilo, Sanna, Amesbury, Matthew J., Aquino‐López, Marco A., Roland, Thomas P., Salminen‐Paatero, Susanna, Paatero, Jussi, Lohila, Annalea, Tuittila, Eeva‐Stiina
Published in Global change biology (01.04.2020)
Published in Global change biology (01.04.2020)
Get full text
Journal Article
Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases
Barbatti, Mario, Aquino, Adélia J. A., Szymczak, Jaroslaw J., Nachtigallová, Dana, Hobza, Pavel, Lischka, Hans, Michl, Josef
Published in Proceedings of the National Academy of Sciences - PNAS (14.12.2010)
Published in Proceedings of the National Academy of Sciences - PNAS (14.12.2010)
Get full text
Journal Article
Isomeric Separation of Permethylated Glycans by Porous Graphitic Carbon (PGC)-LC-MS/MS at High Temperatures
Zhou, Shiyue, Huang, Yifan, Dong, Xue, Peng, Wenjing, Veillon, Lucas, Kitagawa, Daniel A. S, Aquino, Adelia J. A, Mechref, Yehia
Published in Analytical chemistry (Washington) (20.06.2017)
Published in Analytical chemistry (Washington) (20.06.2017)
Get full text
Journal Article
High-level theoretical benchmark investigations of the UV-vis absorption spectra of paradigmatic polycyclic aromatic hydrocarbons as models for graphene quantum dots
Shi, Baimei, Nachtigallová, Dana, Aquino, Adélia J A, Machado, Francisco B C, Lischka, Hans
Published in The Journal of chemical physics (28.03.2019)
Published in The Journal of chemical physics (28.03.2019)
Get more information
Journal Article
Excited states and excitonic interactions in prototypic polycyclic aromatic hydrocarbon dimers as models for graphitic interactions in carbon dots
Shi, Baimei, Nachtigallová, Dana, Aquino, Adélia J. A, Machado, Francisco B. C, Lischka, Hans
Published in Physical chemistry chemical physics : PCCP (08.05.2019)
Published in Physical chemistry chemical physics : PCCP (08.05.2019)
Get full text
Journal Article
Molecular Dynamics Simulation of the Excited-State Proton Transfer Mechanism in 3‑Hydroxyflavone Using Explicit Hydration Models
Li, Yingchao, Siddique, Farhan, Aquino, Adélia J. A, Lischka, Hans
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.07.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.07.2021)
Get full text
Journal Article
Consistent centennial‐scale change in European sub‐Arctic peatland vegetation toward Sphagnum dominance—Implications for carbon sink capacity
Piilo, Sanna R., Väliranta, Minna M., Amesbury, Matt J., Aquino‐López, Marco A., Charman, Dan J., Gallego‐Sala, Angela, Garneau, Michelle, Koroleva, Natalia, Kärppä, Mai, Laine, Anna M., Sannel, A. Britta K., Tuittila, Eeva‐Stiina, Zhang, Hui
Published in Global change biology (01.03.2023)
Published in Global change biology (01.03.2023)
Get full text
Journal Article
Recent climate change has driven divergent hydrological shifts in high-latitude peatlands
Zhang, Hui, Väliranta, Minna, Swindles, Graeme T., Aquino-López, Marco A., Mullan, Donal, Tan, Ning, Amesbury, Matthew, Babeshko, Kirill V., Bao, Kunshan, Bobrov, Anatoly, Chernyshov, Viktor, Davies, Marissa A., Diaconu, Andrei-Cosmin, Feurdean, Angelica, Finkelstein, Sarah A., Garneau, Michelle, Guo, Zhengtang, Jones, Miriam C., Kay, Martin, Klein, Eric S., Lamentowicz, Mariusz, Magnan, Gabriel, Marcisz, Katarzyna, Mazei, Natalia, Mazei, Yuri, Payne, Richard, Pelletier, Nicolas, Piilo, Sanna R., Pratte, Steve, Roland, Thomas, Saldaev, Damir, Shotyk, William, Sim, Thomas G., Sloan, Thomas J., Słowiński, Michał, Talbot, Julie, Taylor, Liam, Tsyganov, Andrey N., Wetterich, Sebastian, Xing, Wei, Zhao, Yan
Published in Nature communications (24.08.2022)
Published in Nature communications (24.08.2022)
Get full text
Journal Article
A New Species Of Ascarophis (Nematoda: Cystidicolidae) Parasitizing Clinocottus analis (Pisces: Cottidae) From Baja California, Mexico
Aguilar-Aguilar, R, Ruiz-Campos, G, Martorelli, S, Montes, M. M, Martínez-Aquino, A
Published in The Journal of parasitology (01.08.2019)
Published in The Journal of parasitology (01.08.2019)
Get full text
Journal Article
Intramolecular Charge-Transfer Excited-State Processes in 4‑(N,N‑Dimethylamino)benzonitrile: The Role of Twisting and the πσ State
Georgieva, Ivelina, Aquino, Adélia J. A, Plasser, Felix, Trendafilova, Natasha, Köhn, Andreas, Lischka, Hans
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.06.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.06.2015)
Get full text
Journal Article
The effect of hydrogen bonding on the excited-state proton transfer in 2-(2'-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study
KUNGWAN, Nawee, PLASSER, Felix, AQUINO, Adélia J. A, BARBATTI, Mario, WOLSCHANN, Peter, LISCHK, Hans
Published in Physical chemistry chemical physics : PCCP (07.07.2012)
Published in Physical chemistry chemical physics : PCCP (07.07.2012)
Get full text
Journal Article
Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states
Braun, Gabriel, Borges, Itamar, Aquino, Adélia J. A., Lischka, Hans, Plasser, Felix, do Monte, Silmar A., Ventura, Elizete, Mukherjee, Saikat, Barbatti, Mario
Published in The Journal of chemical physics (21.10.2022)
Published in The Journal of chemical physics (21.10.2022)
Get full text
Journal Article
Pathways to fluorescence via restriction of intramolecular motion in substituted tetraphenylethylenes
Li, Yingchao, Aquino, Adélia J A, Siddique, Farhan, Niehaus, Thomas A, Lischka, Hans, Nachtigallová, Dana
Published in Physical chemistry chemical physics : PCCP (19.01.2022)
Published in Physical chemistry chemical physics : PCCP (19.01.2022)
Get full text
Journal Article
Ab Initio Modeling of Excitonic and Charge-Transfer States in Organic Semiconductors: The PTB1/PCBM Low Band Gap System
Borges, Itamar, Aquino, Adélia J. A, Köhn, Andreas, Nieman, Reed, Hase, William L, Chen, Lin X, Lischka, Hans
Published in Journal of the American Chemical Society (11.12.2013)
Published in Journal of the American Chemical Society (11.12.2013)
Get full text
Journal Article
Interplay of Biradicaloid Character and Singlet/Triplet Energy Splitting for cis-/trans-Diindenoacenes and Related Benzothiophene-Capped Oligomers as Revealed by Extended Multireference Calculations
Nieman, Reed, Silva, Nadeesha J, Aquino, Adelia J. A, Haley, Michael M, Lischka, Hans
Published in Journal of organic chemistry (06.03.2020)
Published in Journal of organic chemistry (06.03.2020)
Get full text
Journal Article