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- Currently displaying 161 - 180 of 709 publications
Terahertz VRT Spectroscopy of the Water Hexamer-h12 Cage: Dramatic Libration-Induced Enhancement of Hydrogen Bond Tunneling Dynamics
The Journal of Physical Chemistry A
(2018)
122
7421
(doi: 10.1021/acs.jpca.8b05777)
Predicting Pathways between Distant Configurations for Biomolecules
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2018)
14
4271
(doi: 10.1021/acs.jctc.8b00370)
Energy Landscapes of Mini-Dumbbell DNA Octanucleotides
Journal of chemical theory and computation
(2018)
14
3870
(doi: 10.1021/acs.jctc.8b00262)
Tunneling splittings from path-integral molecular dynamics using a Langevin thermostat
J Chem Phys
(2018)
148
234102
(doi: 10.1063/1.5029258)
Exotic bilayer crystals in a strong magnetic field
Physical Review B
(2018)
97
245424
(doi: 10.1103/PhysRevB.97.245424)
Loss surface of XOR artificial neural networks.
Physical review. E
(2018)
97
052307
(doi: 10.1103/PhysRevE.97.052307)
Exploring Energy Landscapes.
Annu Rev Phys Chem
(2018)
69
401
Energy Landscapes for the Aggregation of Aβ17-42
J Am Chem Soc
(2018)
140
4018
(doi: 10.1021/jacs.7b12896)
Terahertz VRT spectroscopy of the water hexamer-d12 prism: Dramatic enhancement of bifurcation tunneling upon librational excitation
The Journal of Chemical Physics
(2018)
148
094301
(doi: 10.1063/1.5006195)
Structure, thermodynamics, and rearrangement mechanisms in gold clusters - Insights from the energy landscapes framework
Nanoscale
(2018)
10
2004
(doi: 10.1039/c7nr07123j)
Energy Landscape and Pathways for Transitions between Watson-Crick and Hoogsteen Base Pairing in DNA.
J Phys Chem Lett
(2018)
9
229
(doi: 10.1021/acs.jpclett.7b01933)
Path Integral Energy Landscapes for Water Dimer
Journal of chemical theory and computation
(2018)
15
33
(doi: 10.1021/acs.jctc.8b00675)
Kinetics of Molecular Diffusion and Self-Assembly: Glycine on Cu{110}
Journal of Physical Chemistry C
(2017)
122
782
(doi: 10.1021/acs.jpcc.7b06847)
Structure and Thermodynamics of Metal Clusters on Atomically Smooth Substrates.
The journal of physical chemistry letters
(2017)
8
5402
(doi: 10.1021/acs.jpclett.7b02543)
Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switch.
The Journal of chemical physics
(2017)
147
152715
(doi: 10.1063/1.4997377)
Pathways for diffusion in the potential energy landscape of the network glass former SiO
Journal of Chemical Physics
(2017)
147
152726
(doi: 10.1063/1.5005924)
Properties of kinetic transition networks for atomic clusters and glassy solids.
Physical chemistry chemical physics : PCCP
(2017)
19
25498
(doi: 10.1039/c7cp03346j)
Exploiting sparsity in free energy basin-hopping
Chemical Physics Letters
(2017)
685
288
(doi: 10.1016/j.cplett.2017.07.081)
ESICM LIVES 2017 30th ESICM Annual Congress. September 23-27, 2017 Abstracts
Intensive Care Med Exp
(2017)
5(Suppl 2)
44
(doi: 10.1186/s40635-017-0151-4)
Machine learning techniques for improving prediction of unplanned intensive care readmission
(2017)
