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Pijush Karak and Swapan Chakrabarti

Phys. Chem. Chem. Phys., 2020, 22, 24399
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Laser-induced fluorescence of free diamondoid molecules

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Phys. Chem. Chem. Phys., 2015, 17, 4739
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Vibrationally resolved optical spectra of modified diamondoids obtained from time-dependent correlation function methods

Shiladitya Banerjee, Tony Stüker and Peter Saalfrank

Phys. Chem. Chem. Phys., 2015, 17, 19656
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Vibrational signatures of diamondoid dimers with large intramolecular London dispersion interactions

Christoph Tyborski, Tobias Hückstaedt, Roland Gillen, Tommy Otto, Nataliya A. Fokina, Andrey A. Fokin, Peter R. Schreiner and Janina Maultzsch

Carbon, 2020, 157, 201
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Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach

Alberto Baiardi, Julien Bloino and Vincenzo Barone

J. Chem. Theory Comput., 2015, 11, 3267
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A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects

Franco Egidi, Julien Bloino, Chiara Cappelli and Vincenzo Barone

J. Chem. Theory Comput., 2014, 10, 346
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Computational study of the adamantane cation: simulations of spectroscopy, fragmentation dynamics, and internal conversion

Bonasree Roy, Evgenii Titov and Peter Saalfrank

Theor Chem Acc, 2023, 142
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Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory

Tamás Demján, Márton Vörös, Maurizia Palummo and Adam Gali

The Journal of Chemical Physics, 2014, 141
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New fluorescent material based on anthracene and triazole for blue organic light emitting diode: A combined experimental and theoretical study

Rania Zaier, Samar Gharbi, Khaled Hriz, Mustapha Majdoub and Sahbi Ayachi

Journal of Molecular Liquids, 2022, 345, 116984
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Vibrationally Broadened Optical Spectra of Selected Radicals and Cations Derived from Adamantane: A Time-Dependent Correlation Function Approach

Tao Xiong and Peter Saalfrank

J. Phys. Chem. A, 2019, 123, 8871
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Toward an Understanding of Diamond sp2-Defects with Unsaturated Diamondoid Oligomer Models

Tatyana S. Zhuk, Tatyana Koso, Alexander E. Pashenko, Ngo Trung Hoc, Vladimir N. Rodionov, Michael Serafin, Peter R. Schreiner and Andrey A. Fokin

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Ground state properties and infrared spectra of anharmonic vibrational polaritons of small molecules in cavities

Eric W. Fischer and Peter Saalfrank

The Journal of Chemical Physics, 2021, 154
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Experimental and theoretical gas-phase absorption spectra of thionated uracils

Dennis Mayer, David Picconi, Matthew S. Robinson and Markus Gühr

Chemical Physics, 2022, 558, 111500
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Electronic and Vibrational Properties of Diamondoid Oligomers

Christoph Tyborski, Roland Gillen, Andrey A. Fokin, Tetyana V. Koso, Natalie A. Fokina, Heike Hausmann, Vladimir N. Rodionov, Peter R. Schreiner, Christian Thomsen and Janina Maultzsch

J. Phys. Chem. C, 2017, 121, 27082
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From isolated diamondoids to a van-der-Waals crystal: A theoretical and experimental analysis of a trishomocubane and a diamantane dimer in the gas and solid phase

Christoph Tyborski, Reinhard Meinke, Roland Gillen, Tobias Bischoff, Andre Knecht, Robert Richter, Andrea Merli, Andrey A. Fokin, Tetyana V. Koso, Vladimir N. Rodionov, Peter R. Schreiner, Thomas Möller, Torbjörn Rander, Christian Thomsen and Janina Maultzsch

The Journal of Chemical Physics, 2017, 147
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UV resonance Raman analysis of trishomocubane and diamondoid dimers

Reinhard Meinke, Robert Richter, Andrea Merli, Andrey A. Fokin, Tetyana V. Koso, Vladimir N. Rodionov, Peter R. Schreiner, Christian Thomsen and Janina Maultzsch

The Journal of Chemical Physics, 2014, 140
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Optical Spectrum of the Diamantane Radical Cation

Parker B. Crandall, Robert Radloff, Marko Förstel and Otto Dopfer

ApJ, 2022, 940, 104
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Temperature Dependence of Radiative and Nonradiative Rates from Time-Dependent Correlation Function Methods

Shiladitya Banerjee, Alberto Baiardi, Julien Bloino and Vincenzo Barone

J. Chem. Theory Comput., 2016, 12, 774
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Effects of functionalization on the electronic and absorption properties of the smaller diamondoids: a computational study

Muhammed Jeneesh K K and R Padmanaban

J Chem Sci, 2018, 130
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A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects

Alberto Baiardi, Julien Bloino and Vincenzo Barone