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1.
Counterion effects on the mesomorphic and electrochemical properties of guanidinium salts.
Phys Chem Chem Phys
; 26(15): 11988-12002, 2024 Apr 17.
Article
in English
| MEDLINE | ID: mdl-38573315
2.
Optical response and multi-exciton effects in 2D PTCDA aggregates with local excitation.
Phys Chem Chem Phys
; 25(35): 23548-23554, 2023 Sep 13.
Article
in English
| MEDLINE | ID: mdl-37650210
3.
Approximation Schemes to Include Nuclear Motion in Laser-Driven Ab Initio Electron Dynamics: Application to High Harmonic Generation.
J Phys Chem A
; 127(28): 5942-5955, 2023 Jul 20.
Article
in English
| MEDLINE | ID: mdl-37417351
4.
Tetrahalidometallate(II) Ionic Liquids with More than One Metal: The Effect of Bromide versus Chloride.
Chemistry
; 28(64): e202201068, 2022 Nov 16.
Article
in English
| MEDLINE | ID: mdl-35789121
5.
Many-electron dynamics in laser-driven molecules: wavefunction theory vs. density functional theory.
Phys Chem Chem Phys
; 23(24): 13544-13560, 2021 Jun 23.
Article
in English
| MEDLINE | ID: mdl-34105544
6.
PSIXAS: A Psi4 plugin for efficient simulations of X-ray absorption spectra based on the transition-potential and Δ-Kohn-Sham method.
J Comput Chem
; 41(19): 1781-1789, 2020 07 15.
Article
in English
| MEDLINE | ID: mdl-32394459
7.
Discriminating organic isomers by high harmonic generation: A time-dependent configuration interaction singles study.
J Chem Phys
; 150(23): 234114, 2019 Jun 21.
Article
in English
| MEDLINE | ID: mdl-31228917
8.
Desorption induced by low energy charge carriers on Si(111)-7 × 7: First principles molecular dynamics for benzene derivates.
J Comput Chem
; 39(30): 2517-2525, 2018 Nov 15.
Article
in English
| MEDLINE | ID: mdl-30365166
9.
The quest for best suited references for configuration interaction singles calculations of core excited states.
J Comput Chem
; 38(2): 116-126, 2017 01 15.
Article
in English
| MEDLINE | ID: mdl-27862049
10.
Controlling the high frequency response of H2 by ultra-short tailored laser pulses: A time-dependent configuration interaction study.
J Chem Phys
; 144(4): 044301, 2016 Jan 28.
Article
in English
| MEDLINE | ID: mdl-26827211
11.
Quantum chemical cluster models for chemi- and physisorption of chlorobenzene on Si(111)-7×7.
J Phys Chem A
; 118(33): 6699-704, 2014 Aug 21.
Article
in English
| MEDLINE | ID: mdl-24914960
12.
Electronic structure changes during the surface-assisted formation of a graphene nanoribbon.
J Chem Phys
; 140(2): 024701, 2014 Jan 14.
Article
in English
| MEDLINE | ID: mdl-24437896
13.
Delocalized spin states at zigzag termini of armchair graphene nanoribbon.
Sci Rep
; 14(1): 11641, 2024 May 21.
Article
in English
| MEDLINE | ID: mdl-38773311
14.
Quantum dynamical simulations of the femtosecond-laser-induced ultrafast desorption of H2 and D2 from Ru(0001).
Chemphyschem
; 14(7): 1471-8, 2013 May 10.
Article
in English
| MEDLINE | ID: mdl-23426934
15.
N-2-pyridinylmethyl-N'-arylmethyl-diaminomaleonitriles: new highly selective chromogenic chemodosimeters for copper(II).
Chemistry
; 18(34): 10506-10, 2012 Aug 20.
Article
in English
| MEDLINE | ID: mdl-22807148
16.
Current versus temperature-induced switching of a single molecule: open-system density matrix theory for 1,5-cyclooctadiene on Si(100).
J Chem Phys
; 136(9): 094705, 2012 Mar 07.
Article
in English
| MEDLINE | ID: mdl-22401466
17.
On the interaction of ascorbic acid and the tetrachlorocuprate ion [CuCl4]2- in CuCl nanoplatelet formation from an ionic liquid precursor (ILP).
Phys Chem Chem Phys
; 13(30): 13537-43, 2011 Aug 14.
Article
in English
| MEDLINE | ID: mdl-21617795
18.
Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H2/D2 from Ru(0001).
Phys Chem Chem Phys
; 13(19): 8659-70, 2011 May 21.
Article
in English
| MEDLINE | ID: mdl-21369575
19.
Optical absorption and excitonic coupling in azobenzenes forming self-assembled monolayers: a study based on density functional theory.
Phys Chem Chem Phys
; 13(48): 21608-14, 2011 Dec 28.
Article
in English
| MEDLINE | ID: mdl-22071571
20.
Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics.
J Chem Phys
; 134(5): 054113, 2011 Feb 07.
Article
in English
| MEDLINE | ID: mdl-21303098