Molecular Physics

Transmission mechanisms of NMR long-range J( 13 C, 19 F) scalar couplings in 1-F,4-X-cubanes: a DFT and experimental study
pp. 485-492(8)
Authors: Contreras, RubéN H.; Esteban, Ángel L.; DÍez, Ernesto; Head, Nicholas J.; Della, Ernest W.

Atomic resolution of bond descriptors in the two-orbital model
pp. 493-501(9)
Author: Nalewajski, R. F.

Three-body effects in hydrogen fluoride: survey of potential energy surfaces
pp. 503-513(11)
Authors: Wierzchowski, S. J.; Fang, Z. H.; Kofke, D. A.; Tilson, J. L.

The FT absorption spectrum of 13 CH 12 CH: rotational analysis of the vibrational states from 3800 to 6750cm −1
pp. 515-526(12)
Authors: Cané, E.; Fusina, L.; Tamassia, F.; Fayt, A.; Herman, M.; Robert, S.; Vander Auwera¶, J.

Ultrasoft colloids in cavities of oscillating size or sharpness
pp. 527-540(14)
Authors: Rex, M.; Likos, C. N.; LÖwen, H.; Dzubiella, J.

A Hamilton–Jacobi type equation for computing minimum potential energy paths
pp. 541-558(18)
Authors: Dey†, Bijoy K.; Ayers, Paul W.

The structure of the gas-phase tyrosine–glycine dipeptide
pp. 559-570(12)
Authors: Toroz, Dimitrios; van Mourik, Tanja

On the thermodynamics of diblock chain fluids from simulation and heteronuclear statistical associating fluid theory for potentials of variable range
pp. 571-586(16)
Authors: Peng, Yun; Zhao, Honggang; Mccabe, Clare

Diffusive dynamics of water in ion-exchanged zeolites
pp. 587-598(12)
Authors: Corsaro, C.; Crupi, V.; Majolino, D.; Migliardo, P.; Venuti, V.; Wanderlingh, U.; Mizota, T.; Telling, M.

Reactions of singlet phosphinidene and its hydroxy derivative with polar molecule hydrogen fluoride
pp. 599-605(7)
Authors: Yin, Ping; Zheng, Hegen; Yin, Gui; Zhang, Jiang; Ye, Song

On the theory of the Buckingham effect
pp. 607-611(5)
Authors: Lange, O. L. DE; Raab, R. E.

Information-theoretic measures for Morse and Pöschl–Teller potentials
pp. 613-622(10)
Authors: Dehesa, J. S.; Martínez-Finkelshtein, A.; Sorokin, V. N.

The adsorption of water in finite carbon pores
pp. 623-637(15)
Authors: Birkett, G. R.; Do, D. D.

Desorption of polymers: role of the stagnant layer
pp. 639-645(7)
Authors: Wolterink, J. Klein; Stuart, M. A. Cohen; Barkema, G. T.

1 H NMR study of the hetero-association of flavin-mononucleotide with mutagenic dyes: ethidium bromide and proflavine
pp. 647-654(8)
Authors: Evstigneev, M. P.; Mukhina, Yu. V.; Davies, D. B.