Molecular Physics

Spectroscopic characterization and potential energy functions of the six low-lying electronic states of ArKr+
pp. 1835-1846(12)
Authors: Kleimenov, E.; Piticco, L.; Merkt, F.

QSAR study of the structural and conformational requirements for the binding of anandamide analogs to the cannabinoid receptor CB1
pp. 1847-1852(6)
Author: Huang, Ming-Ju

TDDFT study of the nonlinear optical properties of the rich d-electron molecular system - iridium/rhodium cluster: the effect of phosphaferrocene
pp. 1853-1866(14)
Authors: Li, Fujun; Wu, Kechen

Direct observation of the symmetric stretching modes of A 1Au acetylene by pulsed supersonic jet laser induced fluorescence
pp. 1867-1877(11)
Authors: Steeves, Adam; Merer, Anthony; Bechtel, Hans; Beck, Annelise; Field, Robert

Effect on the EPR and local lattice structure distortion of V3+ ion doping corundum crystal: three models studied
pp. 1879-1885(7)
Authors: Li, Hui-Fang; Kuang, Xiao-Yu; Wang, Huai-Qian

Effect of electrostatics techniques on the estimation of thermal conductivity via equilibrium molecular dynamics simulation: application to methane hydrate
pp. 1887-1898(12)
Author: English, Niall

The accuracy of local MP2 methods for conformational energies
pp. 1899-1906(8)
Authors: Kaminsky, Jakub; Mata, Ricardo; Werner, Hans-Joachim; Jensen, Frank

A relativistic density functional study of gaseous uranium tetrahalides
pp. 1907-1912(6)
Authors: Zhang, Yunguang; Li, Yude; Hao, Ce

Landscape of finite-temperature equilibrium behaviour of curvature-inducing proteins on a bilayer membrane explored using a linearized elastic free energy model
pp. 1913-1923(11)
Authors: Agrawal, Neeraj; Weinstein, Joshua; Radhakrishnan, Ravi

Estimating the entropy of liquids from atom-atom radial distribution functions: silica, beryllium fluoride and water
pp. 1925-1938(14)
Authors: Sharma, Ruchi; Agarwal, Manish; Chakravarty, Charusita

Demixed and ordered phases in hard-rod mixtures
pp. 1939-1947(9)
Authors: Varga, Szabolcs; Gabor, Andras; Velasco, Enrique; Mederos, Luis; Vesely, Franz

Multi-reference coupled-cluster study of the ionic-neutral curve crossing LiF
pp. 1949-1957(9)
Author: Hanrath, Michael