Molecular Physics

Vapour-liquid equilibrium of fluids composed by oblate molecules
pp. 1331-1339(9)
Authors: Gamez, Francisco; Lago, Santiago; Garzon, Benito; Merkling, Patrick; Vega, Carlos

Solvent effects on the static nuclear relaxation and the curvature hyperpolarizabilities of push-pull polyenes
pp. 1341-1352(12)
Authors: Squitieri, Emilio; Landaeta H., Carlos M.

A generalized Langevin algorithm for studying permeation across biological ion channels
pp. 1353-1361(9)
Authors: Gordon, Dan; Krishnamurthy, Vikram; Chung, Shin-Ho

Electronic current density expanded in natural orbitals
pp. 1363-1367(5)
Author: Greer, J. C.

Self-consistent quantum structure of diffuse helium atom clusters
pp. 1369-1373(5)
Author: Geltman, Sydney

Spectroscopic study of the 61Πu state in Li2
pp. 1375-1378(4)
Authors: Grochola, A.; Jastrzebski, W.; Kowalczyk, P.

Theoretical study and rate constant calculation for the O(3P) + C2H5CN reaction
pp. 1379-1387(9)
Authors: Sun, Jingyu; Tang, Yizhen; Sun, Hao; Pan, Yaru; Jia, Xiujuan; Pan, Xiumei; Wang, Rongshun

Cluster-assisted generation of multiply charged ions in nanosecond laser ionization of seeded furan beam at 532 and 1064 nm
pp. 1389-1395(7)
Authors: Niu, Dongmei; Li, Haiyang; Wang, Weiguo; Xiao, Xue; Luo, Xiaolin; Zhang, Nazhen; Hou, Keyong

Molecular simulations of grafted metal-chelating monolayers: methodology, structure and energy
pp. 1397-1411(15)
Authors: Goujon, F.; Bonal, C.; Limoges, B.; Malfreyt, P.

Structures and stabilities of neutral and charged D5h X@C50 endohedral complexes
pp. 1413-1418(6)
Authors: Sun, LiLi; Chang, YingFei; Tang, ShuWei; Wang, ZhanLiang; Wang, RongShun

DFT study of sulfur centred radicals formed in 5-methylcytosine hemihydrate crystal doped with 5-methyl-2-thiocytosine
pp. 1419-1425(7)
Author: Gomzi, Vjeran

The equivalent potential of water molecules for electronic structure of alanine
pp. 1427-1439(13)
Authors: Yan, Shu; Zheng, Haoping; Zhang, Tian

Theoretical study of excited state proton transfer in pyrrole-2-carboxylic acid
pp. 1441-1449(9)
Authors: Sahoo, Dibakar; Adhikary, Tirthapratim; Chowdhury, Papia; Chakravorti, Sankar

Ab initio potential energy surface and intermolecular vibrational frequencies of C3-Ar complex
pp. 1451-1457(7)
Authors: Zhang, Guiqiu; Zang, Dianfeng; Sun, Chuanzhi; Chen, Dezhan