Molecular Physics

Editorial
pp. 827-828(2)

Computational study of imidazolium-based ionic solvents with alkyl substituents of different lengths
pp. 829-838(10)
Author: Margulis, C. J.

Solid-liquid coexistence in ionic systems and the properties of the interface
pp. 839-855(17)
Authors: Lanning, Oliver J.; Shellswell, Stephen; Madden, Paul A.

Linear screening of the electrostatic potential around spherical particles with non-spherical charge patterns
pp. 857-867(11)
Authors: Hoffmann, Norman; Likos, Christos N.; Hansen, Jean-Pierre

Ammonium cyanate: a DFT study of crystal structure, rotational barriers and vibrational spectrum
pp. 869-876(8)
Authors: Alavi, Ali; Brown, R. Julian C.; Habershon, Scott; Harris, Kenneth D. M.; Johnston, Roy L.

NMR studies of ³¹P, ¹H spin pairs in solid tin(II) phosphite and tin(II) hydrogen phosphate
pp. 877-882(6)
Authors: Amornsakchai, Pornsawan; Hodgkinson, Paul; Harris, Robin K.

Coarse-grain molecular dynamics simulations of diblock copolymer surfactants interacting with a lipid bilayer
pp. 883-889(7)
Authors: Srinivas, Goundla; Klein, Michael L.

Some further applications of discrete path sampling to cluster isomerization
pp. 891-908(18)
Author: Wales, David J.

Melting of atomic solids: effect of range and softness of interaction potentials
pp. 909-918(10)
Authors: Chakraborty, Somendra Nath; Ghosh, Nilanjan; Shah, Pooja; Chakravarty, Charusita

A Maxwell relation for current-induced forces
pp. 919-925(7)
Authors: Sutton, A. P.; Todorov, T. N.

The rotational centroid and its application in quantum molecular dynamics simulations
pp. 927-937(11)
Authors: de la Peña, L. Hernández; Kusalik, P. G.

Computational studies of protein-peptide interactions with systematic mutation of residues
pp. 939-951(13)
Authors: Clare, Dominic F.; Clary, David C.

On the solvation of L-aspartic acid
pp. 953-958(6)
Authors: Paxton, A. T.; Harper, J. B.

Structure of NaCl and KCl concentrated aqueous solutions by ab initio molecular dynamics
pp. 959-966(8)
Authors: Cavallari, Manuela; Cavazzoni, Carlo; Ferrario, Mauro

Polydisperse hard sphere mixtures: equations of state and the melting transition
pp. 967-973(7)
Authors: Huang, C. C.; Xu, H.

Direct detection of chlorine-35 multiple-quantum NMR transitions in a single crystal of sodium chlorate
pp. 975-983(9)
Authors: Khasawneh, Maysoon; Hartman, J. Stephen; Bain, Alex D.

Transferable polarizabilities for the alkanes
pp. 985-991(7)
Authors: Williams, Greg J.; Stone, Anthony J.

A density functional theory study on the water formation at high coverages and the water effect in the Fischer-Tropsch synthesis
pp. 993-1000(8)
Authors: Gong, Xue-Qing; Raval, R.; Hu, P.

Atomic-size effect in hydrogen-induced amorphization
pp. 1001-1005(5)
Authors: Katagiri, Masahiko; Onodera, Hidehiro

Multiple proton translocation in biomolecular systems: concerted to stepwise transition in a simple model
pp. 1007-1014(8)
Authors: Kohanoff, Jorge J.; Cachau, Raul E.

An investigation of the effects of the structure of gel materials on their adsorptive properties using a simple lattice-gas model
pp. 1015-1030(16)
Authors: Salazar, Rafael; Gelb, Lev D.

Ion pair state emission from I₂ in rare gas matrices: effects of solvent induced symmetry breaking
pp. 1031-1044(14)
Authors: Yu, N.; Coker, D. F.

Field-evaporation from first-principles
pp. 1045-1055(11)
Authors: Sánchez, C. G.; lozovoi, A. Y.; alavi, A.

Anomalous diffusion of linear and branched pentanes within zeolite NaY
pp. 1057-1066(10)
Authors: Y. Bhide, Shreyas; Yashonath, S.

Dynamics in crystals of rigid organic molecules: contrasting the phonon frequencies calculated by molecular dynamics with harmonic lattice dynamics for imidazole and 5-azauracil
pp. 1067-1083(17)
Authors: Gray, A. E.; Day, G. M.; Leslie, M.; Price, S. L.

The electron spin relaxation and paramagnetic relaxation enhancement: an application of the stochastic Liouville equation in the Langevin form
pp. 1085-1093(9)
Authors: Åman, Ken; Westlund, Per-Olof