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 |
0.441 |
|
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 |
0.539 |
|
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 |
0.478 |
|
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 |
0.449 |
|
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 |
0.525 |
|
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 |
0.543 |
|
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 |
0.425 |
|
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 |
0.582 |
|
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 |
0.393 |
|
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 |
0.523 |
|
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. |
0.376 |
|
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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