Enrico Tapavicza

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 13

Top Topics

Molecular Dynamics

Crystal Structure

Machine Learning

Top Venues

The journal of physical chemistry letters

Physical chemistry chemical physics : PCCP

Angewandte Chemie (International ed. in English)

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Yosuke Hamamoto, Kotaro Ochiai, Yongxin Li, Enrico Tapavicza, Shingo Ito
Synthesis and Properties of Azahomocorannulenyl Cations and Radicals. Angewandte Chemie (International ed. in English) 63 (7) (2024)
Adam C Smith, Matthew Plazola, Phillip S Hudson, Enrico Tapavicza
Membrane Stabilization of Helical Previtamin D Conformers as Possible Enhancement of Vitamin D Photoproduction. The journal of physical chemistry. B (2024)
Yosuke Hamamoto, Kotaro Ochiai, Yongxin Li, Enrico Tapavicza, Shingo Ito
Synthesis and Properties of Azahomocorannulenyl Cations and Radicals. Angewandte Chemie (International ed. in English) (2023)
Enrico Tapavicza, Trevor Reutershan, Travis Thompson
Ab Initio Simulation of the Ultrafast Circular Dichroism Spectrum of Provitamin D Ring-Opening. The journal of physical chemistry letters (2023)
Yannick J Franzke, Christof Holzer, Josefine H Andersen, Tomislav Begušić, Florian Bruder, Sonia Coriani, Fabio Della Sala, Eduardo Fabiano, Daniil A Fedotov, Susanne Fürst, Sebastian Gillhuber, Robin Grotjahn, Martin Kaupp, Max Kehry, Marjan Krstić, Fabian Mack, Sourav Majumdar, Brian D Nguyen, Shane M Parker, Fabian Pauly, Ansgar Pausch, Eva Perlt, Gabriel S Phun, Ahmadreza Rajabi, Dmitrij Rappoport, Bibek Samal, Tim Schrader, Manas Sharma, Enrico Tapavicza, Robert S Treß, Vamsee K Voora, Artur Wodyński, Jason M Yu, Benedikt Zerulla, Filipp Furche, Christof Hättig, Marek Sierka, David P Tew, Florian Weigend
TURBOMOLE: Today and Tomorrow. Journal of chemical theory and computation (2023)
Tomislav Begušić, Enrico Tapavicza, Jiří J L Vaníček
Applicability of the Thawed Gaussian Wavepacket Dynamics to the Calculation of Vibronic Spectra of Molecules with Double-Well Potential Energy Surfaces. Journal of chemical theory and computation 18 (5) (2022)
Patrick W Allen, Jordan A Cook, Anh N Colquhoun, Eric J Sorin, Enrico Tapavicza, Jason P Schwans
Energetically unfavorable protein angles: Exploration of a conserved dihedral angle in triosephosphate isomerase. Biopolymers 113 (11) (2022)
Enrico Tapavicza, Guido Falk von Rudorff, David O De Haan, Mario Contin, Christian George, Matthieu Riva, O Anatole von Lilienfeld
Elucidating an Atmospheric Brown Carbon Species-Toward Supplanting Chemical Intuition with Exhaustive Enumeration and Machine Learning. Environmental science & technology 55 (12) (2021)
Isaac Benkyi, Enrico Tapavicza, Heike Fliegl, Dage Sundholm
Calculation of vibrationally resolved absorption spectra of acenes and pyrene. Physical chemistry chemical physics : PCCP 21 (37) (2019)
Christoph W Grathwol, Nathalie Wössner, Sören Swyter, Adam C Smith, Enrico Tapavicza, Robert Klaus Hofstetter, Anja Bodtke, Manfred Jung, Andreas Link
Azologization and repurposing of a hetero-stilbene-based kinase inhibitor: towards the design of photoswitchable sirtuin inhibitors. Beilstein journal of organic chemistry 15 (2019)
Enrico Tapavicza
Generating Function Approach to Single Vibronic Level Fluorescence Spectra. The journal of physical chemistry letters 10 (20) (2019)
Cecilia Cisneros, Travis Thompson, Noel Baluyot, Adam C Smith, Enrico Tapavicza
The role of tachysterol in vitamin D photosynthesis - a non-adiabatic molecular dynamics study. Physical chemistry chemical physics : PCCP 19 (8) (2018)
Travis Thompson, Enrico Tapavicza
First-Principles Prediction of Wavelength-Dependent Product Quantum Yields. The journal of physical chemistry letters 9 (16) (2018)