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Metal‐like Ductility in Organic Plastic Crystals: Role of Molecular Shape and Dihydrogen Bonding Interactions in Aminoboranes2020 Angewandte Chemie International Edition article Chemistry Crystallography and molecular interactions
Amit Mondal, Biswajit Bhattacharya, Susobhan Das, Surojit Bhunia, Rituparno Chowdhury, Somnath Dey, +1 more
100citations -
ALMA imaging of the cold molecular and dusty disk in the type 2 active nucleus of the Circinus galaxy2022 Astronomy and Astrophysics article Physics and Astronomy Galaxies: Formation, Evolution, Phenomena Open access
Konrad R. W. Tristram, C. M. Violette Impellizzeri, Zhi-Yu Zhang, Eric Villard, Christian Henkel, S. Viti, +6 more
18citations -
Hexacene on Cu(110) and Ag(110): Influence of the Substrate on Molecular Orientation and Interfacial Charge Transfer2022 The Journal of Physical Chemistry C article Engineering Surface Chemistry and Catalysis Open access
Marie S. Sättele, Andreas Windischbacher, Katharina K. Greulich, Larissa Egger, Anja Haags, Hans Kirschner, +12 more
11citations -
Automatic Differentiation for Enhanced Potential Energy Surface Navigation: Improved Minimum and Transition State Search in Molecular Dynamics2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies
Indu Sekhar Roy, Lukas Krep, Enia Léon Mudimu, Markus Towara, Kai O. Leonhard
0citations -
Frustration-Induced Many-Body Degeneracy in Spin −1/2 Molecular Quantum Rings2025 Journal of the American Chemical Society article Physics and Astronomy Advanced Condensed Matter Physics Open access
Donglin Li, Nan Cao, Marvin Metzelaars, Orlando José Silveira, Joakim S. Jestilä, Adolfo O. Fumega, +5 more
9citations -
CREST—A program for the exploration of low-energy molecular chemical space2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 2 patents
Philipp Pracht, Stefan Grimme, Christoph Bannwarth, Fabian Bohle, Sebastian Ehlert, Gereon Feldmann, +7 more
573citations -
Reaction path identification and validation from molecular dynamics simulations of hydrocarbon pyrolysis2024 International Journal of Chemical Kinetics article Chemical Engineering Advanced Combustion Engine Technologies Open access
Felix Schmalz, Wassja A. Kopp, Eirini Goudeli, Kai O. Leonhard
16citations -
Formation of complex organic molecules in molecular clouds: acetaldehyde, vinyl alcohol, ketene, and ethanol via the “energetic” processing of C2H2 ice2021 Astronomy and Astrophysics article Physics and Astronomy Astrophysics and Star Formation Studies Open access
K.-J. Chuang, G. Fedoseev, Carlotta Sciré, G. A. Baratta, Cornelia Jäger, Thomas K. Henning, +2 more
39citations -
Analyzing Lipid Membrane Defects via a Coarse-Grained to Triangulated Surface Map: The Role of Lipid Order and Local Curvature in Molecular Binding6citations
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Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access
Abylay Katbashev, Marcel Stahn, Thomas Rose, Vahideh Alizadeh, Marvin Friede, Christoph Plett, +2 more
25citations -
Controlling microgel deformation via deposition method and surface functionalization of solid supports2021 Physical Chemistry Chemical Physics article Biochemistry, Genetics and Molecular Biology Hydrogels: synthesis, properties, applications
Laura Hoppe Alvarez, Andrey A. Rudov, Rustam A. Gumerov, Pia Lenßen, Ulrich Simon, Igor I. Potemkin, +1 more
39citations