☰

Peter Saalfrank - Publications

Affiliations: 
University of Potsdam, Potsdam, Brandenburg, Germany 
Tree Info Similar researchers PubMed Report error

27 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 Albrecht PA, Witzorky C, Saalfrank P, Klamroth T. Approximation Schemes to Include Nuclear Motion in Laser-Driven Ab Initio Electron Dynamics: Application to High Harmonic Generation. The Journal of Physical Chemistry. A. PMID 37417351 DOI: 10.1021/acs.jpca.3c01811  0.319
2019 Melani G, Nagata Y, Campen RK, Saalfrank P. Vibrational spectra of dissociatively adsorbed DO on Al-terminated α-AlO(0001) surfaces from ab initio molecular dynamics. The Journal of Chemical Physics. 150: 244701. PMID 31255084 DOI: 10.1063/1.5099895  0.312
2018 Muzdalo A, Saalfrank P, Vreede J, Santer M. cis to trans isomerization of azobenzene derivatives studied with transition path sampling and QM/MM molecular dynamics. Journal of Chemical Theory and Computation. PMID 29466663 DOI: 10.1021/Acs.Jctc.7B01120  0.301
2016 Titov E, Granucci G, Götze JP, Persico M, Saalfrank P. Dynamics of Azobenzene Dimer Photoisomerization: Electronic and Steric Effects. The Journal of Physical Chemistry Letters. 7: 3591-6. PMID 27542538 DOI: 10.1021/acs.jpclett.6b01401  0.66
2016 Titov E, Saalfrank P. Exciton Splitting of Adsorbed and Free 4-Nitroazobenzene Dimers: A Quantum Chemical Study. The Journal of Physical Chemistry. A. 120: 3055-70. PMID 26709622 DOI: 10.1021/acs.jpca.5b10376  0.363
2015 Tong Y, Wirth J, Kirsch H, Wolf M, Saalfrank P, Campen RK. Optically probing Al-O and O-H vibrations to characterize water adsorption and surface reconstruction on α-alumina: an experimental and theoretical study. The Journal of Chemical Physics. 142: 054704. PMID 25662657 DOI: 10.1063/1.4906346  0.378
2014 Kirsch H, Wirth J, Tong Y, Wolf M, Saalfrank P, Campen RK. Experimental characterization of unimolecular water dissociative adsorption on α-alumina Journal of Physical Chemistry C. 118: 13623-13630. DOI: 10.1021/Jp502106T  0.409
2013 Füchsel G, Schimka S, Saalfrank P. On the role of electronic friction for dissociative adsorption and scattering of hydrogen molecules at a Ru(0001) surface. The Journal of Physical Chemistry. A. 117: 8761-9. PMID 23750588 DOI: 10.1021/jp403860p  0.308
2012 Götze JP, Greco C, Mitrić R, Bonačić-Koutecký V, Saalfrank P. BLUF hydrogen network dynamics and UV/Vis spectra: a combined molecular dynamics and quantum chemical study. Journal of Computational Chemistry. 33: 2233-42. PMID 22764067 DOI: 10.1002/jcc.23056  0.655
2012 Götze JP, Saalfrank P. Quantum chemical modeling of the kinetic isotope effect of the carboxylation step in RuBisCO. Journal of Molecular Modeling. 18: 1877-83. PMID 21866315 DOI: 10.1007/s00894-011-1207-0  0.641
2010 Füchsel G, Klamroth T, Tremblay JC, Saalfrank P. Stochastic approach to laser-induced ultrafast dynamics: the desorption of H(2)/D(2) from Ru(0001). Physical Chemistry Chemical Physics : Pccp. 12: 14082-94. PMID 20856974 DOI: 10.1039/c0cp00895h  0.32
2010 Klaumünzer B, Kröner D, Saalfrank P. (TD-)DFT calculation of vibrational and vibronic spectra of riboflavin in solution. The Journal of Physical Chemistry. B. 114: 10826-34. PMID 20681576 DOI: 10.1021/jp100642c  0.324
2010 Saalfrank P, Klamroth T, Vazhappilly T, Hernandez R. Theory of Femtochemistry at Metal Surfaces: Associative Molecular Photodesorption as a Case Study Dynamics At Solid State Surfaces and Interfaces. 1: 383-407. DOI: 10.1002/9783527633418.ch17  0.424
2009 Götze J, Saalfrank P. Serine in BLUF domains displays spectral importance in computational models. Journal of Photochemistry and Photobiology. B, Biology. 94: 87-95. PMID 19036599 DOI: 10.1016/j.jphotobiol.2008.10.003  0.644
2009 Vazhappilly T, Klamroth T, Saalfrank P, Hernandez R. Femtosecond-laser desorption of h 2 (d 2) from ru(0001): quantum and classical approaches Journal of Physical Chemistry C. 113: 7790-7801. DOI: 10.1021/Jp810709K  0.55
2007 Andrianov I, Klamroth T, Saalfrank P, Bovensiepen U, Gahl C, Wolf M. Quantum theoretical study of electron solvation dynamics in ice layers on a Cu(111) surface. The Journal of Chemical Physics. 122: 234710. PMID 16008476 DOI: 10.1063/1.1940587  0.488
2007 Tegeder P, Hagen S, Leyssner F, Peters M, Hecht S, Klamroth T, Saalfrank P, Wolf M. Electronic structure of the molecular switch tetra-tert-butyl-azobenzene adsorbed on Ag(111) Applied Physics A. 88: 465-472. DOI: 10.1007/S00339-007-4047-0  0.443
2006 Füchsel G, Klamroth T, Dokić J, Saalfrank P. On the electronic structure of neutral and ionic azobenzenes and their possible role as surface mounted molecular switches. The Journal of Physical Chemistry. B. 110: 16337-45. PMID 16913761 DOI: 10.1021/jp060969v  0.335
2003 Neiss C, Saalfrank P. Ab initio quantum chemical investigation of the first steps of the photocycle of phototropin: a model study. Photochemistry and Photobiology. 77: 101-9. PMID 12856890  0.321
1999 Bartels L, Wolf M, Klamroth T, Saalfrank P, Kühnle A, Meyer G, Rieder K. Atomic-scale chemistry: Desorption of ammonia from Cu(111) induced by tunneling electrons Chemical Physics Letters. 313: 544-552. DOI: 10.1016/S0009-2614(99)01108-2  0.437
1998 Pesce L, Gerdts T, Manthe U, Saalfrank P. Variational wave packet method for dissipative photodesorption problems Chemical Physics Letters. 288: 383-390. DOI: 10.1016/S0009-2614(98)00313-3  0.508
1997 Manz J, Saalfrank P, Schmidt B. Quantum dynamical aspects of rotationally and vibrationally mediated photochemistry in matrices and at surfaces: HCl/DCl in Ar and NH3/ND3 at Cu(111) Journal of the Chemical Society - Faraday Transactions. 93: 957-967.  0.496
1996 Saalfrank P, Kosloff R. Quantum dynamics of bond breaking in a dissipative environment: Indirect and direct photodesorption of neutrals from metals The Journal of Chemical Physics. 105: 2441-2455. DOI: 10.1063/1.472112  0.335
1996 Hasselbrink E, Wolf M, Holloway S, Saalfrank P. Classical and quantum-mechanical modeling of the stimulated desorption of ammonia from Cu(111) Surface Science. 363: 179-184. DOI: 10.1016/0039-6028(96)00132-X  0.487
1996 Daniel C, De Vivie-Riedle R, Heitz MC, Manz J, Saalfrank P. From laser control of vibrationally mediated photodissociation to photodesorption: Model simulations of breaking metal-ligand bonds in organometallic molecules, clusters, and adsorbates at surfaces International Journal of Quantum Chemistry. 57: 595-609. DOI: 10.1002/(Sici)1097-461X(1996)57:4<595::Aid-Qua8>3.0.Co;2-T  0.485
1994 Saalfrank P, Miller WH. Quantum-mechanical rates for gas-surface processes Surface Science. 303: 206-230. DOI: 10.1016/0039-6028(94)90634-3  0.464
1993 Saalfrank P, Miller WH. Time‐independent quantum dynamics for diatom–surface scattering The Journal of Chemical Physics. 98: 9040-9052. DOI: 10.1063/1.464464  0.431
Show low-probability matches.