Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 181 - 200 of 689 publications
Structural analysis of high-dimensional basins of attraction.
Phys Rev E
(2016)
94
031301
(doi: 10.1103/PhysRevE.94.031301)
Trapping of hydrogen atoms inside small beryllium clusters and their ions
Chemical Physics Letters
(2016)
659
282
(doi: 10.1016/j.cplett.2016.07.054)
Structure and torsional dynamics of the water octamer from THz laser spectroscopy near 215 mm
Science (New York, N.Y.)
(2016)
352
1194
(doi: 10.1126/science.aad8625)
Dynamics of a molecular glass former: Energy landscapes for diffusion in ortho-terphenyl
J Chem Phys
(2016)
145
024505
(doi: 10.1063/1.4954324)
Kinetic Transition Networks for the Thomson Problem and Smale's Seventh Problem
Phys Rev Lett
(2016)
117
028301
The potential energy landscape for crystallisation of a Lennard-Jones fluid
Journal of Statistical Mechanics Theory and Experiment
(2016)
2016
074001
Energy landscapes for a machine-learning prediction of patient discharge
Physical Review E
(2016)
93
063310
(doi: 10.1103/physreve.93.063310)
Conformational Energy Landscape of the Ritonavir Molecule.
Journal of Physical Chemistry B
(2016)
120
4331
(doi: 10.1021/acs.jpcb.5b12272)
Dynamical properties of two- and three-dimensional colloidal clusters of six particles
Phys Chem Chem Phys
(2016)
18
12725
(doi: 10.1039/c6cp00677a)
Energy landscapes for a machine learning application to series data
The Journal of chemical physics
(2016)
144
124119
(doi: 10.1063/1.4944672)
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism
Science (New York, N.Y.)
(2016)
351
1310
(doi: 10.1126/science.aae0012)
Quantum tunneling splittings from path-integral molecular dynamics
Journal of Chemical Physics
(2016)
144
114108
(doi: 10.1063/1.4943867)
Turning intractable counting into sampling: Computing the configurational entropy of three-dimensional jammed packings.
Physical Review E
(2016)
93
012906
(doi: 10.1103/physreve.93.012906)
Grand and Semigrand Canonical Basin-Hopping.
Journal of Chemical Theory and Computation
(2016)
12
902
(doi: 10.1021/acs.jctc.5b00962)
Energetically favoured defects in dense packings of particles on spherical surfaces.
Soft Matter
(2016)
12
5708
(doi: 10.1039/c6sm00489j)
Rovibrational transitions of the methane–water dimer from intermolecular quantum dynamical computations
Phys Chem Chem Phys
(2016)
18
22816
(doi: 10.1039/c6cp03062a)
QTAIM and Stress Tensor Interpretation of the (H2O)5 Potential Energy Surface
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2016)
37
2712
(doi: 10.1002/jcc.24498)
Isotopic and tunneling patterns in water clusters
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)
251
Coarse-graining the structure of polycyclic aromatic hydrocarbons clusters.
Physical chemistry chemical physics : PCCP
(2016)
18
13736
(doi: 10.1039/c6cp00592f)