| 1 |
Exploration of Graphene Defect Reactivity toward a Hydrogen Radical Utilizing a Preactivated Circumcoronene Model
Nieman R, Aquino AJA, Lischka H
Journal of Physical Chemistry A, 125(5), 1152, 2021 |
| 2 |
Nonadiabatic Dynamics of Charge-Transfer States Using the Anthracene-Tetracyanoethylene Complex as a Prototype
Siddique F, Barbatti M, Cui ZH, Lischka H, Aquino AJA
Journal of Physical Chemistry A, 124(17), 3347, 2020 |
| 3 |
Doping Capabilities of Fluorine on the UV Absorption and Emission Spectra of Pyrene-Based Graphene Quantum Dots
Liu B, Aquino AJA, Nachtigallova D, Lischka H
Journal of Physical Chemistry A, 124(52), 10954, 2020 |
| 4 |
Dynamics of Pyrene-Dimer Association and Ensuing Pyrene-Dimer Dissociation
Chakraborty D, Lischka H, Hase WL
Journal of Physical Chemistry A, 124(43), 8907, 2020 |
| 5 |
A Multireference Ab Initio Study of the Diradical Isomers of Pyrazine
Scott T, Nieman R, Luxon A, Zhang B, Lischka H, Gagliardi L, Parish CA
Journal of Physical Chemistry A, 123(10), 2049, 2019 |
| 6 |
Characterization of Charge Transfer in Excited States of Extended Clusters of pi-Stacked Donor and Acceptor Complexes in Lock-Arm Supramolecular Ordering
Chen RX, Aquino AJA, Sue ACH, Niehaus T, Lischka H
Journal of Physical Chemistry A, 123(21), 4532, 2019 |
| 7 |
Microhydration of Polymer Electrolyte Membranes: A Comparison of Hydrogen-Bonding Networks and Spectral Properties of Nafion and Bis[(perfluoroalkyl)sulfonyl] Imide
Silva NJ, Tunega D, Korzeniewsk C, Lischka H, Aquino AJA
Journal of Physical Chemistry B, 123(46), 9899, 2019 |
| 8 |
Multireference Approaches for Excited States of Molecules
Lischka H, Nachtigallova D, Aquino AJA, Szalay PG, Plasser F, Machado FBC, Barbatti M
Chemical Reviews, 118(15), 7293, 2018 |
| 9 |
Interplay between Aromaticity and Radicaloid Character in Nitrogen-Doped Oligoacenes Revealed by High-Level Multireference Methods
Pinheiro M, Das A, Aquino AJA, Lischka H, Machado FBC
Journal of Physical Chemistry A, 122(49), 9464, 2018 |
| 10 |
Polyradical Character of Triangular Non-Kekule Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study
Das A, Muller T, Plasser F, Lischka H
Journal of Physical Chemistry A, 120(9), 1625, 2016 |
