|
ID
|
Author
|
Year
|
Title
|
Publisher
|
| 1017968 |
Zhang, Lixian; Meuwly, Markus |
2011 |
Stability and Dynamics of Cyclic Diguanylic Acid in Solution |
ChemPhysChem |
| 1017899 |
Yosa, J.; Meuwly, M. |
2011 |
Vibrationally Induced Dissociation of Sulfuric Acid (H₂SO₄) |
The Journal of Physical Chemistry A |
| 2834796 |
Yosa Reyes, Juvenal; Nagy, Tibor; Meuwly, Markus |
2014 |
Competitive reaction pathways in vibrationally induced photodissociation of H2SO4 |
Physical Chemistry, Chemical Physics |
| 3719798 |
Yosa Reyes, Juvenal; Brickel, Sebastian; Unke, Oliver T.; Nagy, Tibor; Meuwly, Markus |
2016 |
HSO3Cl: a prototype molecule for studying OH-stretching overtone induced photodissociation |
Physical Chemistry Chemical Physics |
| 490636 |
Yang, Yonggang; Meuwly, Markus |
2010 |
A generalized reactive force field for nonlinear hydrogen bonds : hydrogen dynamics and transfer in malonaldehyde |
Journal of Chemical Physics |
| 1519793 |
Yang, Yonggang; Liu, Xiaomeng; Meuwly, Markus; Xiao, Liantuan; Jia, Suotang |
2012 |
Harmonic Bath Averaged Hamiltonian : an efficient Tool To Capture Quantum Effects of Large Systems |
The journal of physical chemistry A |
| 4527464 |
Xu, Zhen-Hao; Meuwly, Markus |
2017 |
Vibrational Spectroscopy and Proton Transfer Dynamics in Protonated Oxalate |
Journal of Physical Chemistry A |
| 4527428 |
Xu, Zhen-Hao; Meuwly, Markus |
2019 |
Multistate Reactive Molecular Dynamics Simulations of Proton Diffusion in Water Clusters and in the Bulk |
Journal of Physical Chemistry B |
| 4527458 |
Wörner, Hans Jakob; Arrell, Christopher A.; Banerji, Natalie; Cannizzo, Andrea; Chergui, Majed; Das, Akshaya K.; Hamm, Peter; Keller, Ursula; Kraus, Peter M.; Liberatore, Elisa; Lopez-Tarifa, Pablo; Lucchini, Matteo; Meuwly, Markus; Milne, Chris; Moser, Jacques-E.; Rothlisberger, Ursula; Smolentsev, Grigory; Teuscher, Joël; van Bokhoven, Jeroen A.; Wenger, Oliver |
2017 |
Charge migration and charge transfer in molecular systems |
Structural Dynamics |
| 4527469 |
Weiss, Michael A.; Phillips, Nelson F.; Ismail-Beigi, Faramarz; Pandyarajan, Vijay; Yang, Yanwu; Chen, Yen-Shan; Wickramasinghe, Nalinda; Smith, Brian; Menting, John G.; Lawrence, Michael C.; El-Hage, Krystel; Meuwly, Markus |
2017 |
Non-Standard Protein Engineering at the Boundary of Molecular Mechanics and Quantum Chemistry: Halogen-Based Design of Insulin Analogs |
Biophysical Journal |
| 4620591 |
Veliz, Juan Carlos San Vicente; Koner, Debasish; Schwilk, Max; Bemish, Raymond J.; Meuwly, Markus |
2021 |
The C(P-3) + O-2((3)sigma(-)(g)) -> CO2 CO((1)sigma(+)) + O(D-1)/O(P-3) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 K |
Physical Chemistry Chemical Physics |
| 4661097 |
Veliz, Juan Carlos San Vicente; Arnold, Julian; Bemish, Raymond J.; Meuwly, Markus |
2022 |
Combining Machine Learning and Spectroscopy to Model Reactive Atom + Diatom Collisions |
Journal of Physical Chemistry A |
| 4638691 |
Vazquez-Salazar, Luis Itza; Boittier, Eric D.; Unke, Oliver T.; Meuwly, Markus |
2021 |
Impact of the Characteristics of Quantum Chemical Databases on Machine Learning Predictions of Tautomerization Energies |
Journal of Chemical Theory and Computation |
| 4660810 |
Vazquez-Salazar, Luis Itza; Boittier, Eric D.; Meuwly, Markus |
2022 |
Uncertainty Quantification for Predictions of Atomistic Neural Networks |
Chemical Science |
| 4638692 |
Upadhyay, Meenu; Pezzella, Marco; Meuwly, Markus |
2021 |
Genesis of Polyatomic Molecules in Dark Clouds: CO2 Formation on Cold Amorphous Solid Water |
The journal of physical chemistry letters |
| 4638719 |
Upadhyay, Meenu; Meuwly, Markus |
2021 |
Energy Redistribution following CO2 Formation on Cold Amorphous Solid Water |
Frontiers in Chemistry |
| 4638713 |
Upadhyay, Meenu; Meuwly, Markus |
2021 |
Thermal and Vibrationally Activated Decomposition of the syn-CHCHOO Criegee Intermediate |
ACS Earth and Space Chemistry |
| 3402690 |
Unke, Oliver Thorsten; Meuwly, Markus |
2015 |
Kernel density estimation-based solution of the nuclear Schrodinger equation |
Chemical Physics Letters |
| 4527446 |
Unke, Oliver T.; Meuwly, Markus |
2018 |
A reactive, scalable, and transferable model for molecular energies from a neural network approach based on local information |
Journal of Chemical Physics |
| 4527433 |
Unke, Oliver T.; Meuwly, Markus |
2019 |
PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial Charges |
Journal of Chemical Theory and Computation |
