مقاله‌های دارای تعهدات انتشار عمومی - Scott Habershonبیشتر بدانید
جای دیگری دردسترس نیست: ۶
Ring-polymer molecular dynamics: Quantum effects in chemical dynamics from classical trajectories in an extended phase space
S Habershon, DE Manolopoulos, TE Markland, TF Miller III
Annual review of physical chemistry 64 (1), 387-413, 2013
تعهدات: UK Engineering and Physical Sciences Research Council
A compact and accurate semi-global potential energy surface for malonaldehyde from constrained least squares regression
W Mizukami, S Habershon, DP Tew
The Journal of chemical physics 141 (14), 2014
تعهدات: European Commission
Successes and challenges in using machine-learned activation energies in kinetic simulations
I Ismail, C Robertson, S Habershon
The Journal of Chemical Physics 157 (1), 2022
تعهدات: UK Engineering and Physical Sciences Research Council
Non-adiabatic reactions: general discussion
SC Althorpe, N Ananth, G Angulo, RD Astumian, V Beniwal, J Blumberger, ...
Faraday Discussions 195, 311-344, 2016
تعهدات: UK Biotechnology and Biological Sciences Research Council
Traversing Dense Networks of Elementary Chemical Reactions to Predict Minimum‐Energy Reaction Mechanisms
C Robertson, I Ismail, S Habershon
ChemSystemsChem, 2019
تعهدات: UK Engineering and Physical Sciences Research Council
Emerging opportunities and future directions: general discussion
SC Althorpe, W Barford, J Blumberger, C Bungey, I Burghardt, A Datta, ...
Faraday Discussions 221, 564-581, 2020
تعهدات: US National Science Foundation
جای دیگری دردسترس است: ۳۱
Ultrafast photoprotecting sunscreens in natural plants
LA Baker, MD Horbury, SE Greenough, F Allais, PS Walsh, S Habershon, ...
The Journal of Physical Chemistry Letters 7 (1), 56-61, 2016
تعهدات: UK Engineering and Physical Sciences Research Council
Automatic proposal of multistep reaction mechanisms using a graph-driven search
I Ismail, HBVA Stuttaford-Fowler, C Ochan Ashok, C Robertson, ...
The Journal of Physical Chemistry A 123 (15), 3407-3417, 2019
تعهدات: UK Engineering and Physical Sciences Research Council
Quantum dynamics with short-time trajectories and minimal adaptive basis sets
MAC Saller, S Habershon
Journal of chemical theory and computation 13 (7), 3085-3096, 2017
تعهدات: UK Engineering and Physical Sciences Research Council
Robustness, efficiency, and optimality in the Fenna-Matthews-Olson photosynthetic pigment-protein complex
LA Baker, S Habershon
The Journal of Chemical Physics 143 (10), 2015
تعهدات: UK Engineering and Physical Sciences Research Council
Fast screening of homogeneous catalysis mechanisms using graph-driven searches and approximate quantum chemistry
C Robertson, S Habershon
Catalysis Science & Technology 9 (22), 6357-6369, 2019
تعهدات: UK Engineering and Physical Sciences Research Council
Graph-driven reaction discovery: Progress, challenges, and future opportunities
I Ismail, R Chantreau Majerus, S Habershon
The Journal of Physical Chemistry A 126 (40), 7051-7069, 2022
تعهدات: UK Engineering and Physical Sciences Research Council
Basis set generation for quantum dynamics simulations using simple trajectory-based methods
MAC Saller, S Habershon
Journal of Chemical Theory and Computation 11 (1), 8-16, 2015
تعهدات: UK Engineering and Physical Sciences Research Council
Direct grid-based nonadiabatic dynamics on machine-learned potential energy surfaces: application to spin-forbidden processes
GW Richings, S Habershon
The Journal of Physical Chemistry A 124 (44), 9299-9313, 2020
تعهدات: UK Engineering and Physical Sciences Research Council
Predicting molecular photochemistry using machine-learning-enhanced quantum dynamics simulations
GW Richings, S Habershon
Accounts of Chemical Research 55 (2), 209-220, 2022
تعهدات: UK Engineering and Physical Sciences Research Council
Photosynthetic pigment-protein complexes as highly connected networks: implications for robust energy transport
LA Baker, S Habershon
Proceedings of the Royal Society A: Mathematical, Physical and Engineering …, 2017
تعهدات: UK Engineering and Physical Sciences Research Council
A new diabatization scheme for direct quantum dynamics: Procrustes diabatization
GW Richings, S Habershon
The Journal of chemical physics 152 (15), 2020
تعهدات: UK Engineering and Physical Sciences Research Council
Ultrafast transient absorption spectroscopy of the sunscreen constituent ethylhexyl triazone
LA Baker, SL Clark, S Habershon, VG Stavros
The Journal of Physical Chemistry Letters 8 (10), 2113-2118, 2017
تعهدات: UK Engineering and Physical Sciences Research Council
Identifying barrierless mechanisms for benzene formation in the interstellar medium using permutationally invariant reaction discovery
C Robertson, R Hyland, AJD Lacey, S Havens, S Habershon
Journal of Chemical Theory and Computation 17 (4), 2307-2322, 2021
تعهدات: UK Engineering and Physical Sciences Research Council
UV-light promoted C–H bond activation of benzene and fluorobenzenes by an iridium (i) pincer complex
SA Hauser, J Emerson-King, S Habershon, AB Chaplin
Chemical Communications 53 (26), 3634-3636, 2017
تعهدات: US National Science Foundation, Swiss National Science Foundation, UK …
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