E-LIB Suche - Ergebnisse für: Petrenko, Taras

1

Investigating the Landscape of Ontologies forCatalysis Rese..:

Behr, Alexander S. ; Borgelt, Hendrik ; Petrenko, Taras..
Proceedings of the Conference on Research Data Infrastructure. 1 (2023) - p. , 2023

Link: https://doi.org/10.52825..

2

Chemical Energy Storage

De Gruyter Textbook

Aho, Atte ; Aho, Atte ; Antonietti, Markus... - 2nd ed . , [2022]

Link: https://doi.org/10.1515/..

3

Interoperability and Architecture Requirements Analysis and..:

, In: Communications in Computer and Information Science; Data Analytics and Management in Data Intensive Domains,

Horsch, Martin ; Petrenko, Taras ; Kushnarenko, Volodymyr... - p. 166-177 , 2022

Link: https://doi.org/10.1007/..

4

Hydrogen-Bonded Complexes of Neutral Nitroxide Radicals wit..:

Savitsky, Anton ; Nalepa, Anna ; Petrenko, Taras...
Applied Magnetic Resonance. 53 (2021) 7-9 - p. 1239-1263 , 2021

Link: https://doi.org/10.1007/..

5

Advances in vibrational configuration interaction theory ‐ ..:

Mathea, Tina ; Petrenko, Taras ; Rauhut, Guntram
Journal of Computational Chemistry. 43 (2021) 1 - p. 6-18 , 2021

Link: https://doi.org/10.1002/..

6

VCI Calculations Based on Canonical and Localized Normal Co..:

Mathea, Tina ; Petrenko, Taras ; Rauhut, Guntram
The Journal of Physical Chemistry A. 125 (2021) 4 - p. 990-998 , 2021

Link: https://doi.org/10.1021/..

7

Account of non-Condon effects in time-independent Raman wav..:

Petrenko, Taras ; Rauhut, Guntram
The Journal of Chemical Physics. 152 (2020) 11 - p. , 2020

Link: https://doi.org/10.1063/..

8

Refined analysis of the X̃ 2A2←X̃ 1A1 photoelectron spectru..:

Petrenko, Taras ; Rauhut, Guntram
The Journal of Chemical Physics. 148 (2018) 5 - p. , 2018

Link: https://doi.org/10.1063/..

9

A new efficient method for the calculation of interior eige..:

Petrenko, Taras ; Rauhut, Guntram
The Journal of Chemical Physics. 146 (2017) 12 - p. , 2017

Link: https://doi.org/10.1063/..

10

A General Approach for Calculating Strongly Anharmonic Vibr..:

Petrenko, Taras ; Rauhut, Guntram
Journal of Chemical Theory and Computation. 13 (2017) 11 - p. 5515-5527 , 2017

Link: https://doi.org/10.1021/..

11

Time-independent eigenstate-free calculation of vibronic sp..:

Petrenko, Taras ; Rauhut, Guntram
The Journal of Chemical Physics. 143 (2015) 23 - p. , 2015

Link: https://doi.org/10.1063/..

12

Efficient implementation of the analytic second derivatives..:

Bykov, Dmytro ; Petrenko, Taras ; Izsák, Róbert...
Molecular Physics. 113 (2015) 13-14 - p. 1961-1977 , 2015

Link: https://doi.org/10.1080/..

13

Magnetic circular dichroism and computational study of mono..:

Ye, Shengfa ; Xue, Genqiang ; Krivokapic, Itana...
Chemical Science. 6 (2015) 5 - p. 2909-2921 , 2015

Link: https://doi.org/10.1039/..

14

Preference towards Five-Coordination in Ti Silicalite-1 upo..:

Gallo, Erik ; Bonino, Francesca ; Swarbrick, Janine C....
ChemPhysChem. 14 (2012) 1 - p. 79-83 , 2012

Link: https://doi.org/10.1002/..

15

Efficient and automatic calculation of optical band shapes ..:

Petrenko, Taras ; Neese, Frank
The Journal of Chemical Physics. 137 (2012) 23 - p. , 2012

Link: https://doi.org/10.1063/..