Hans Lischka
Texas Tech University
H-index: 78
North America-United States
Top articles of Hans Lischka
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
A multi‐descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π‐Conjugation versus charge effects | Journal of Computational Chemistry | Julio CV Chagas Bruno D Milanez Vytor P Oliveira Max Pinheiro Jr Luiz FA Ferrao | 2024/5/5 |
Foreword to the special issue for Elfi Kraka. | Journal of Computational Chemistry | Adelia Aquino Hans Lischka Gernot Frenking | 2024/3/28 |
Prediction Challenge: Simulating Rydberg Photoexcited Cyclobutanone with Surface Hopping Dynamics based on Different Electronic Structure Methods | arXiv preprint arXiv:2402.09890 | Saikat Mukherjee Rafael S Mattos Josene M Toldo Hans Lischka Mario Barbatti | 2024/2/15 |
The effect of water on gold supported chiral graphene nanoribbons: rupture of conjugation by an alternating hydrogenation pattern | Nanoscale | Alejandro Berdonces-Layunta Adam Matěj Alejandro Jiménez-Martín James Lawrence Mohammed SG Mohammed | 2024 |
Spin-density calculation via the graphical unitary group approach | Molecular Physics | Rene FK Spada Maurício P Franco Reed Nieman Adelia JA Aquino Ron Shepard | 2023/6/18 |
A comprehensive analysis of charge transfer effects on donor‐pyrene (bridge)‐acceptor systems using different substituents | Journal of Computational Chemistry | Itamar Borges Jr Roberta MPO Guimarães Gabriel Monteiro‐de‐Castro Nathália MP Rosa Reed Nieman | 2023/12/5 |
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry | Journal of Chemical Theory and Computation | Giovanni Li Manni Ignacio Fdez. Galván Ali Alavi Flavia Aleotti Francesco Aquilante | 2023/5/22 |
Quantification of the Ionic Character of Multiconfigurational Wave Functions: the Qta Diagnostic: The Qat Diagnostic | J. Phys. Chem. A | Hans Lischka Silmar A do Monte Rene FK Spada Rodolpho LR Alves Lachlan Belcher | 2023/11/23 |
Structural stability and the low‐lying singlet and triplet states of BN‐n‐acenes, n = 1–7 | Journal of Computational Chemistry | Bruno D Milanez Gustavo M Dos Santos Max Pinheiro Jr Leonardo T Ueno Luiz FA Ferrão | 2023/3/5 |
Stability and Reactivity of the Phenalene and Olympicene Isomers | The Journal of Physical Chemistry A | Luiz FA Ferrão Marcelo AP Pontes Gabriel FS Fernandes Fernanda Bettanin Adélia JA Aquino | 2023/11/3 |
A new chiral phenomenon of orientational chirality, its synthetic control and computational study | Frontiers in Chemistry | Shengzhou Jin Ting Xu Yao Tang Jia-Yin Wang Yu Wang | 2023/1/5 |
High-Level Multireference Investigations on the Electronic States in Single-Vacancy (SV) Graphene Defects Using a Pyrene-SV Model | The Journal of Physical Chemistry A | Reed Nieman Vytor P Oliveira Bhumika Jayee Adelia JA Aquino Francisco BC Machado | 2023/10/3 |
Polyradical character assessment using multireference calculations and comparison with density-functional derived fractional occupation number weighted density analysis | Physical Chemistry Chemical Physics | Reed Nieman Jhonatas R Carvalho Bhumika Jayee Andreas Hansen Adelia JA Aquino | 2023 |
A perspective on sustainable computational chemistry software development and integration | Journal of Chemical Theory and Computation | Rosa Di Felice Maricris L Mayes Ryan M Richard David B Williams-Young Garnet Kin-Lic Chan | 2023/9/28 |
A theoretical adsorption study of the inner‐core and outer‐core hydrated alkali metal cation–circumcoronene complexes | International Journal of Quantum Chemistry | Ivelina Georgieva Daniel Tunega Adelia JA Aquino Hans Lischka | 2023/12/15 |
On the Cooperative Origin of Solvent-Enhanced Symmetry-Breaking Charge Transfer in a Covalently Bound Tetracene Dimer Leading to Singlet Fission | Journal of the American Chemical Society | Rafael S Mattos Irene Burghardt Adelia JA Aquino Thiago M Cardozo Hans Lischka | 2022/12/19 |
Pathways to fluorescence via restriction of intramolecular motion in substituted tetraphenylethylenes | Physical Chemistry Chemical Physics | Yingchao Li Adélia JA Aquino Farhan Siddique Thomas A Niehaus Hans Lischka | 2022 |
Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states | The Journal of Chemical Physics | Gabriel Braun Itamar Borges Adélia JA Aquino Hans Lischka Felix Plasser | 2022/10/21 |
Newton-X platform: new software developments for surface hopping and nuclear ensembles | Journal of Chemical Theory and Computation | Mario Barbatti Mattia Bondanza Rachel Crespo-Otero Baptiste Demoulin Pavlo O Dral | 2022/10/4 |
Ab initio investigation of substituent effects on the excited electronic states of flavylium cation analogues of anthocyanin pigments | Computational and Theoretical Chemistry | Liuqing Sun Gustavo TM Silva Frank H Quina Hans Lischka Adelia JA Aquino | 2022/10/1 |
