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 261 - 280 of 691 publications
Surveying a complex potential energy landscape: Overcoming broken ergodicity using basin-sampling
Chemical Physics Letters
(2013)
584
1
(doi: 10.1016/j.cplett.2013.07.066)
Exploring energy landscapes: Metrics, pathways, and normal-mode analysis for rigid-body molecules
Journal of chemical theory and computation
(2013)
9
4026
(doi: 10.1021/ct400403y)
A left-handed building block self-assembles into right-and left-handed helices
RSC Advances
(2013)
3
12905
(doi: 10.1039/c3ra41813h)
Energy landscapes and global thermodynamics for alanine peptides
The Journal of Chemical Physics
(2013)
139
121909
(doi: 10.1063/1.4813627)
Energy landscapes, structural topologies and rearrangement mechanisms in clusters of dipolar particles
Soft Matter
(2013)
9
5407
(doi: 10.1039/c3sm50711d)
Visualizing basins of attraction for different minimization algorithms
The journal of physical chemistry. B
(2013)
117
12717
(doi: 10.1021/jp312457a)
Local frustration determines molecular and macroscopic helix structures
J Phys Chem B
(2013)
117
7918
(doi: 10.1021/jp4040503)
Communication: Certifying the potential energy landscape
The Journal of Chemical Physics
(2013)
138
171101
(doi: 10.1063/1.4803162)
Defect motifs for constant mean curvature surfaces
Physical Review Letters
(2013)
110
165502
Symmetrisation schemes for global optimisation of atomic clusters
Phys Chem Chem Phys
(2013)
15
3965
(doi: 10.1039/c3cp44332a)
Investigation of Terahertz Vibration-Rotation Tunneling Spectra for the Water Octamer
The journal of physical chemistry. A
(2013)
117
6960
(doi: 10.1021/jp311306a)
Hydrogen in Light-Metal Cage Assemblies: Towards a Nanofoam Storage
Progress in Theoretical Chemistry and Physics
(2013)
27
211
(doi: 10.1007/978-3-319-01529-3_12)
Energy landscapes and tunneling splittings for water clusters
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2013)
246
Nuclear quantum effects on the stability of cationic neon clusters
Chemical Physics Letters
(2012)
551
38
(doi: 10.1016/j.cplett.2012.09.013)
Mode-specificity and transition state-specific energy redistribution in the chemisorption of CH 4 on Ni{100}
Phys Chem Chem Phys
(2012)
14
15879
(doi: 10.1039/c2cp42345f)
Beryllium cluster cages endohedrally doped by hydrogen: H 2@Be n (8 ≤ n ≤ 14)
International Journal of Quantum Chemistry
(2012)
112
3068
(doi: 10.1002/qua.24235)
Quasi-Continuous Interpolation Scheme for Pathways between Distant Configurations
Journal of chemical theory and computation
(2012)
8
5020
(doi: 10.1021/ct3004832)
Hydrogen trapped in Be n cluster cages: The atomic encapsulation option
Chemical Physics Letters
(2012)
545
44
(doi: 10.1016/j.cplett.2012.07.027)
A Local Rigid Body Framework for Global Optimization of Biomolecules
J Chem Theory Comput
(2012)
8
5159
(doi: 10.1021/ct3004589)
