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- Currently displaying 1 - 20 of 550 publications
Effects of random pinning on the potential energy landscape of a supercooled liquid.
– The Journal of chemical physics
(2018)
149,
114503
(DOI: 10.1063/1.5042140)
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)
Proline provides site-specific flexibility for in vivo collagen
– Scientific reports
(2018)
8,
13809
(DOI: 10.1038/s41598-018-31937-x)
Predicting Pathways between Distant Configurations for Biomolecules.
– Journal of Chemical Theory and Computation
(2018)
14,
4271
(DOI: 10.1021/acs.jctc.8b00370)
Computational Studies of the Mechanical Stability for Single-Strand Break DNA.
– J Phys Chem B
(2018)
122,
8166
(DOI: 10.1021/acs.jpcb.8b05417)
Predicting Pathways between Distant Configurations for Biomolecules
– JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2018)
14,
4271
(DOI: 10.1021/acs.jctc.8600370)
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
– The Journal of chemical physics
(2018)
148,
234102
(DOI: 10.1063/1.5029258)
Exotic bilayer crystals in a strong magnetic field
– Physical Review B
(2018)
97,
ARTN 245424
(DOI: 10.1103/PhysRevB.97.245424)
Evolved Minimal Frustration in Multifunctional Biomolecules
– J Phys Chem B
(2018)
(DOI: 10.1021/acs.jpcb.8b03632)
Loss surface of XOR artificial neural networks
– Phys Rev E
(2018)
97,
052307
(DOI: 10.1103/physreve.97.052307)
From sticky-hard-sphere to Lennard-Jones-type clusters
– Phys Rev E
(2018)
97,
043309
(DOI: 10.1103/PhysRevE.97.043309)
Exploring Energy Landscapes
– Annu Rev Phys Chem
(2018)
69,
401
Energy Landscapes for the Aggregation of Aβ17-42.
– Journal of the American Chemical Society
(2018)
140,
4018
(DOI: 10.1021/jacs.7b12896)
Terahertz VRT spectroscopy of the water hexamer-d<inf>12</inf>prism: Dramatic enhancement of bifurcation tunneling upon librational excitation
– Journal of Chemical Physics
(2018)
148,
ARTN 094301
(DOI: 10.1063/1.5006195)
Designing hierarchical molecular complexity: icosahedra of addressable icosahedra
– Molecular Physics
(2018)
116,
2954
Kinetics of Molecular Diffusion and Self-Assembly: Glycine on Cu{110}
– Journal of Physical Chemistry C
(2018)
122,
782
(DOI: 10.1021/acs.jpcc.7b06847)
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
– Journal of Physical Chemistry Letters
(2018)
9,
229
(DOI: 10.1021/acs.jpclett.7b01933)
Structure and Thermodynamics of Metal Clusters on Atomically Smooth Substrates
– J Phys Chem Lett
(2017)
8,
5402
(DOI: 10.1021/acs.jpclett.7b02543)
