受强制性开放获取政策约束的文章 - Sebastian Thallmair了解详情
无法在其他位置公开访问的文章：12 篇
Controlling photorelaxation in uracil with shaped laser pulses: A theoretical assessment
D Keefer, S Thallmair, S Matsika, R de Vivie-Riedle
Journal of the American Chemical Society 139 (14), 5061-5066, 2017
强制性开放获取政策： US Department of Energy, German Research Foundation
A comprehensive microscopic picture of the benzhydryl radical and cation photogeneration and interconversion through electron transfer
CF Sailer, S Thallmair, BP Fingerhut, C Nolte, J Ammer, H Mayr, I Pugliesi, ...
ChemPhysChem 14 (7), 1423-1437, 2013
强制性开放获取政策： German Research Foundation
Ion‐Pairing of Phosphonium Salts in Solution: C H⋅⋅⋅ Halogen and C H⋅⋅⋅ π Hydrogen Bonds
J Ammer, C Nolte, K Karaghiosoff, S Thallmair, P Mayer, ...
Chemistry–A European Journal 19 (43), 14612-14630, 2013
强制性开放获取政策： German Research Foundation
Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxation
S Thallmair, MK Roos, R de Vivie-Riedle
The Journal of Chemical Physics 144 (23), 2016
强制性开放获取政策： German Research Foundation
Quantum dynamics in an explicit solvent environment: A photochemical bond cleavage treated with a combined QD/MD approach
S Thallmair, JPP Zauleck, R de Vivie-Riedle
Journal of chemical theory and computation 11 (5), 1987-1995, 2015
强制性开放获取政策： German Research Foundation
Quantum dynamics of a photochemical bond cleavage influenced by the solvent environment: a dynamic continuum approach
S Thallmair, M Kowalewski, JPP Zauleck, MK Roos, R de Vivie-Riedle
The journal of physical chemistry letters 5 (20), 3480-3485, 2014
强制性开放获取政策： German Research Foundation
Two new methods to generate internal coordinates for molecular wave packet dynamics in reduced dimensions
JPP Zauleck, S Thallmair, M Loipersberger, R de Vivie-Riedle
Journal of chemical theory and computation 12 (12), 5698-5708, 2016
强制性开放获取政策： German Research Foundation
A multi target approach to control chemical reactions in their inhomogeneous solvent environment
D Keefer, S Thallmair, JPP Zauleck, R de Vivie-Riedle
Journal of Physics B: Atomic, Molecular and Optical Physics 48 (23), 234003, 2015
强制性开放获取政策： German Research Foundation
Ground and excited state surfaces for the photochemical bond cleavage in phenylmethylphenylphosphonium ions
S Thallmair, BP Fingerhut, R de Vivie-Riedle
The Journal of Physical Chemistry A 117 (41), 10626-10633, 2013
强制性开放获取政策： German Research Foundation
Ultrafast photochemistry with two product channels: Wavepacket motion through two distinct conical intersections
E Riedle, MK Roos, S Thallmair, CF Sailer, N Krebs, BP Fingerhut, ...
Chemical Physics Letters 683, 128-134, 2017
强制性开放获取政策： German Research Foundation, Leibniz Association
Strategies towards the purposeful design of long-range ferromagnetic ordering due to spin canting
S Thallmair, W Bauer, B Weber
Polyhedron 28 (9-10), 1796-1801, 2009
强制性开放获取政策： German Research Foundation
Ultrafast reactive quantum dynamics coupled to classical solvent dynamics using an Ehrenfest approach
JPP Zauleck, MT Peschel, F Rott, S Thallmair, R de Vivie-Riedle
The Journal of Physical Chemistry A 122 (11), 2849-2857, 2018
强制性开放获取政策： German Research Foundation
可在其他位置公开访问的文章：28 篇
Martini 3: a general purpose force field for coarse-grained molecular dynamics
PCT Souza, R Alessandri, J Barnoud, S Thallmair, I Faustino, ...
Nature methods 18 (4), 382-388, 2021
强制性开放获取政策： US National Institutes of Health, Natural Sciences and Engineering Research …
Pitfalls of the Martini model
R Alessandri, PCT Souza, S Thallmair, MN Melo, AH De Vries, SJ Marrink
Journal of chemical theory and computation 15 (10), 5448-5460, 2019
强制性开放获取政策： Netherlands Organisation for Scientific Research, European Commission
Protein–ligand binding with the coarse-grained Martini model
PCT Souza, S Thallmair, P Conflitti, C Ramírez-Palacios, R Alessandri, ...
Nature communications 11 (1), 3714, 2020
强制性开放获取政策： Swiss National Science Foundation, European Commission, Government of Italy
Optimal control theory–closing the gap between theory and experiment
P von den Hoff, S Thallmair, M Kowalewski, R Siemering, ...
Physical Chemistry Chemical Physics 14 (42), 14460-14485, 2012
强制性开放获取政策： German Research Foundation
Molecular dynamics simulations in photosynthesis
N Liguori, R Croce, SJ Marrink, S Thallmair
Photosynthesis research 144 (2), 273-295, 2020
强制性开放获取政策： Netherlands Organisation for Scientific Research
Unidirectional rotating molecular motors dynamically interact with adsorbed proteins to direct the fate of mesenchymal stem cells
Q Zhou, J Chen, Y Luan, PA Vainikka, S Thallmair, SJ Marrink, BL Feringa, ...
Science advances 6 (5), eaay2756, 2020
强制性开放获取政策： Netherlands Organisation for Scientific Research, European Commission
An allosteric pathway in copper, zinc superoxide dismutase unravels the molecular mechanism of the G93A amyotrophic lateral sclerosis-linked mutation
PCT Souza, S Thallmair, SJ Marrink, R Mera-Adasme
The journal of physical chemistry letters 10 (24), 7740-7744, 2019
强制性开放获取政策： European Commission
Capturing Choline–Aromatics Cation− π Interactions in the MARTINI Force Field
HM Khan, PCT Souza, S Thallmair, J Barnoud, AH De Vries, SJ Marrink, ...
Journal of chemical theory and computation 16 (4), 2550-2560, 2020
强制性开放获取政策： European Commission, Research Council of Norway
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