| Year |
Citation |
Score |
| 2024 |
Roy B, Titov E, Saalfrank P. Nonadiabatic Photodynamics of Amantadine and 1-Cyanoadamantane Cations. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202400331. PMID 39073265 DOI: 10.1002/cphc.202400331 |
0.301 |
|
| 2024 |
Ojha D, Penschke C, Saalfrank P. Vibrational dynamics and spectroscopy of water at porous g-CN and CN surfaces. Physical Chemistry Chemical Physics : Pccp. 26: 11084-11093. PMID 38530253 DOI: 10.1039/d3cp05964b |
0.654 |
|
| 2024 |
Fischer EW, Syska JA, Saalfrank P. A Quantum Chemistry Approach to Linear Vibro-Polaritonic Infrared Spectra with Perturbative Electron-Photon Correlation. The Journal of Physical Chemistry Letters. 15: 2262-2269. PMID 38381036 DOI: 10.1021/acs.jpclett.4c00105 |
0.313 |
|
| 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 |
0.311 |
|
| 2023 |
Fischer EW, Saalfrank P. Cavity-catalyzed hydrogen transfer dynamics in an entangled molecular ensemble under vibrational strong coupling. Physical Chemistry Chemical Physics : Pccp. 25: 11771-11779. PMID 37067354 DOI: 10.1039/d3cp00175j |
0.305 |
|
| 2021 |
Melani G, Nagata Y, Saalfrank P. Vibrational energy relaxation of interfacial OH on a water-covered α-AlO(0001) surface: a non-equilibrium ab initio molecular dynamics study. Physical Chemistry Chemical Physics : Pccp. 23: 7714-7723. PMID 32857089 DOI: 10.1039/d0cp03777j |
0.334 |
|
| 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 |
0.336 |
|
| 2018 |
Melani G, Nagata Y, Wirth J, Saalfrank P. Vibrational spectroscopy of hydroxylated α-AlO(0001) surfaces with and without water: An ab initio molecular dynamics study. The Journal of Chemical Physics. 149: 014707. PMID 29981538 DOI: 10.1063/1.5023347 |
0.343 |
|
| 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 |
0.667 |
|
| 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 |
0.358 |
|
| 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 |
0.399 |
|
| 2014 |
Saalfrank P, Juaristi JI, Alducin M, Blanco-Rey M, Muiño RD. Vibrational lifetimes of hydrogen on lead films: an ab initio molecular dynamics with electronic friction (AIMDEF) study. The Journal of Chemical Physics. 141: 234702. PMID 25527952 DOI: 10.1063/1.4903309 |
0.304 |
|
| 2014 |
Banerjee S, Saalfrank P. Vibrationally resolved absorption, emission and resonance Raman spectra of diamondoids: a study based on time-dependent correlation functions. Physical Chemistry Chemical Physics : Pccp. 16: 144-58. PMID 24226411 DOI: 10.1039/c3cp53535e |
0.3 |
|
| 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 |
0.424 |
|
| 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 |
0.303 |
|
| 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 |
0.668 |
|
| 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 |
0.65 |
|
| 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 |
0.318 |
|
| 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 |
0.327 |
|
| 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 |
0.649 |
|
| 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 |
0.544 |
|
| 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 |
0.48 |
|
| 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 |
0.432 |
|
| 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 |
0.329 |
|
| 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 |
0.305 |
|
| 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 |
0.43 |
|
| 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 |
0.504 |
|
| 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. |
0.495 |
|
| 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 |
0.324 |
|
| 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 |
0.478 |
|
| 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 |
0.49 |
|
| 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 |
0.465 |
|
| 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 |
0.425 |
|
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