Markus Oppel, Ph.D. - Publications

Affiliations: 
University of Vienna, Wien, Wien, Austria 
Area:
Theoretical Chemistry

29 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Li Manni G, Fdez Galván I, Alavi A, Aleotti F, Aquilante F, Autschbach J, Avagliano D, Baiardi A, Bao JJ, Battaglia S, Birnoschi L, Blanco-González A, Bokarev SI, Broer R, Cacciari R, ... ... Oppel M, et al. The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation. PMID 37216210 DOI: 10.1021/acs.jctc.3c00182  0.442
2021 Freitag L, Lindenbauer L, Oppel M, González L. A density matrix renormalization group study of the low-lying excited states of a molybdenum carbonyl-nitrosyl complex. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 34495578 DOI: 10.1002/cphc.202100549  0.501
2020 Lischka H, Shepard R, Müller T, Szalay PG, Pitzer RM, Aquino AJA, Araújo do Nascimento MM, Barbatti M, Belcher LT, Blaudeau JP, Borges I, Brozell SR, Carter EA, Das A, Gidofalvi G, ... ... Oppel M, et al. The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry. The Journal of Chemical Physics. 152: 134110. PMID 32268762 DOI: 10.1063/1.5144267  0.54
2019 Fernández Galván I, Vacher M, Alavi A, Angeli C, Aquilante F, Autschbach J, Bao JJ, Bokarev SI, Bogdanov NA, Carlson RK, Chibotaru LF, Creutzberg J, Dattani N, Delcey MG, Dong SS, ... ... Oppel M, et al. OpenMolcas: From source code to insight. Journal of Chemical Theory and Computation. PMID 31509407 DOI: 10.1021/Acs.Jctc.9B00532  0.479
2017 Gómez S, Oppel M, González L. Discrimination of 1,1-difluoroethylene nuclear spin isomers in the presence of non-adiabatic coupling terms Chemical Physics Letters. 683: 205-210. DOI: 10.1016/J.Cplett.2017.03.022  0.534
2016 Plasser F, Ruckenbauer M, Mai S, Oppel M, Marquetand P, González L. Efficient and Flexible Computation of Many-Electron Wavefunction Overlaps. Journal of Chemical Theory and Computation. PMID 26854874 DOI: 10.1021/Acs.Jctc.5B01148  0.45
2016 Waldl M, Oppel M, González L. Controlling the Excited State Dynamics of Nuclear Spin Isomers Using the Dynamic Stark Effect. The Journal of Physical Chemistry. A. PMID 26840424 DOI: 10.1021/Acs.Jpca.5B12542  0.606
2015 Nogueira JJ, Oppel M, González L. Enhancing intersystem crossing in phenotiazinium dyes by intercalation into DNA. Angewandte Chemie (International Ed. in English). 54: 4375-8. PMID 25663283 DOI: 10.1002/Anie.201411456  0.526
2015 Obaid R, Kinzel D, Oppel M, González L. Separating nuclear spin isomers using a pump–dump laser scheme Theoretical Chemistry Accounts. 134. DOI: 10.1007/S00214-015-1644-4  0.544
2015 Nogueira JJ, Oppel M, González L. Steigerung der Interkombinationseffizienz in Phenothiazinfarbstoffen durch Einlagerung in DNA Angewandte Chemie. 127: 4450-4453. DOI: 10.1002/Ange.201411456  0.426
2014 Obaid R, Kinzel D, Oppel M, González L. Discrimination of nuclear spin isomers exploiting the excited state dynamics of a quinodimethane derivative. The Journal of Chemical Physics. 141: 164323. PMID 25362315 DOI: 10.1063/1.4899178  0.583
2013 Belz S, Deeb O, Gon?alez L, Grohmann T, Kinzel D, Leibscher M, Manz J, Obaid R, Oppel M, Xavier GD, Zilberg S. Nuclear spin selective torsional states: Implications of molecular symmetry Zeitschrift Fur Physikalische Chemie. 227: 1021-1048. DOI: 10.1524/Zpch.2013.0385  0.56
2007 May V, Ambrosek D, Oppel M, González L. Theory of ultrafast nonresonant multiphoton transitions in polyatomic molecules: basics and application to optimal control theory. The Journal of Chemical Physics. 127: 144102. PMID 17935381 DOI: 10.1063/1.2766717  0.58
2007 May V, Ambrosek D, Oppel M, González L. Theory of ultrafast nonresonant multiphoton transitions in polyatomic molecules: Basics and application to optimal control theory Journal of Chemical Physics. 127. DOI: 10.1063/1.2766717  0.394
2006 Ambrosek D, Oppel M, González L, May V. Application of optimal control theory to ultrafast nonresonant multiphoton transitions in polyatomic molecules Optics Communications. 264: 502-510. DOI: 10.1016/J.Optcom.2006.03.079  0.559
2004 Lippert H, Manz J, Oppel M, Paramonov GK, Radloff W, Ritze HH, Stert V. Control of breaking strong versus weak bonds of BaFCH3 by femtosecond IR + VIS laser pulses: Theory and experiment Physical Chemistry Chemical Physics. 6: 4283-4295. DOI: 10.1039/B405683C  0.605
2003 Elghobashi N, Krause P, Manz J, Oppel M. IR + UV laser pulse control of momenta directed to specific products: Quantum model simulations for HOD* → H + OD versus HO + D Physical Chemistry Chemical Physics. 5: 4806-4813. DOI: 10.1039/B305305A  0.587
2003 Ambrosek D, Oppel M, González L, May V. Theory of ultrafast non-resonant multi-photon transitions: Basics and application to CpMn(CO)3 Chemical Physics Letters. 380: 536-541. DOI: 10.1016/J.Cplett.2003.09.041  0.524
2001 Evers F, Giraud-Girard J, Grimme S, Manz J, Monte C, Oppel M, Rettig W, Saalfrank P, Zimmermann P. Absorption and fluorescence excitation spectra of 9-(N-carbazolyl)-anthracene: Effects of intramolecular vibrational redistribution and diabatic transitions involving electron transfer Journal of Physical Chemistry A. 105: 2911-2924. DOI: 10.1021/Jp003879D  0.576
2001 Daniel C, Full J, González L, Kaposta C, Krenz M, Lupulescu C, Manz J, Minemoto S, Oppel M, Rosendo-Francisco P, Vajda S, Wöste L. Analysis and control of laser induced fragmentation processes in CpMn(CO)3 Chemical Physics. 267: 247-260. DOI: 10.1016/S0301-0104(01)00315-9  0.473
2001 Oppel M, Paramonov GK. Optimal control of rotational motion of dissociation fragments by infrared laser pulses: Application to a three-dimensional model of HONO2 in the gas phase at temperatures below 1 K Chemical Physics Letters. 339: 243-254. DOI: 10.1016/S0009-2614(01)00313-X  0.436
2000 Brackhagen O, Busse H, Giraud-Girard J, Manz J, Oppel M. Fluorescence lifetimes of 9-(N-carbazolyl)-anthracene: Effects of intramolecular vibrational redistribution and electronic transitions in coupled bright and dark states Journal of Chemical Physics. 112: 8819-8829. DOI: 10.1063/1.481497  0.566
2000 Eisenhardt CG, Oppel M, Baumgärtel H. Excited state photoelectron spectroscopy on molecular aggregates containing aromatic molecules Journal of Electron Spectroscopy and Related Phenomena. 108: 141-151. DOI: 10.1016/S0368-2048(00)00137-7  0.376
2000 Oppel M, Paramonov GK. Infrared-laser-pulse control of bond- and state-selective excitation, dissociation and space quantization: Application to a three-dimensional model of HONO2 in the ground electronic state Applied Physics B: Lasers and Optics. 71: 319-329. DOI: 10.1007/S003400000348  0.489
1999 Oppel M, Paramonov GK. Selective vibronic excitation and bond breaking by picosecond UV and IR laser pulses: Application to a two-dimensional model of HONO 2 Chemical Physics Letters. 313: 332-340. DOI: 10.1016/S0009-2614(99)01095-7  0.462
1999 Oppel M, Paramonov GK. Infrared-laser control of vibrational state redistribution during molecular dissociation: The time-dependent flux method in model simulations for HONO2 in the excited electronic state Physical Review a - Atomic, Molecular, and Optical Physics. 60: 3663-3666.  0.375
1999 Oppel M, Paramonov GK. Picosecond laser control of bond-selective dissociation and clockwise and anticlockwise rotation of the dissociation fragments: Applications to a three-dimensional model of HONO2 in the ground electronic state Chemical Physics. 250: 131-143.  0.343
1998 Manz J, Oppel M, Paramonov GK. Quasi-coherent molecular vibrations with energies above the dissociation threshold in the ground electronic state Journal of Physical Chemistry A. 102: 4271-4276. DOI: 10.1021/Jp980213Z  0.616
1998 Oppel M, Paramonov GK. Ultrafast laser control of vibrational dynamics for a two-dimensional model of HONO 2 in the ground electronic state: Separation of conformers, control of the bond length, selective preparation of the discrete and the continuum states Chemical Physics. 232: 111-130.  0.35
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