A model for multipole polarizabilities and dispersion coefficientsFOWLER, P. W; KELLY, H. M; VAIDEHI, N et al.Molecular physics (Print). 1994, Vol 82, Num 1, pp 211-225, issn 0026-8976Article

Accurate ab initio carbon-proton and proton-proton spin-spin coupling surfaces for the methane moleculeGEERTSEN, J; ODDERSHEDE, J; RAYNES, W. T et al.Molecular physics (Print). 1994, Vol 82, Num 1, pp 29-50, issn 0026-8976Article

Comment on Theoretical calculations of the nuclear magnetic shielding tensors for the ethylenic carbon atoms in cyclopropenesVAN WÜLLEN, C; FLEISCHER, U; KUTZELNIGG, W et al.Molecular physics (Print). 1994, Vol 81, Num 6, pp 1373-1382, issn 0026-8976Article

Comparison of positional disorder in the liquid and glassy states of hydrocarbons : dependence of disorder on molecular shapeAPARNA CHAKRABARTI; YASHONATH, S; RAO, C. N. R et al.Molecular physics (Print). 1994, Vol 81, Num 2, pp 467-473, issn 0026-8976Article

Computer simulation of the behaviour of a solute in a model liquid crystalline solventPALKE, W. E; EMSLEY, J. W; TILDESLEY, D. J et al.Molecular physics (Print). 1994, Vol 82, Num 1, pp 177-192, issn 0026-8976Article

Corrected expression for the heat of transportALLNATT, A. R.Molecular physics (Print). 1994, Vol 82, Num 4, pp 781-785, issn 0026-8976Article

Cross-polarization dynamic-angle spinning nuclear magnetic resonance of quadrupolar nucleiBALTISBERGER, J. H; GANN, S. L; GRANDINETTI, P. J et al.Molecular physics (Print). 1994, Vol 81, Num 5, pp 1109-1124, issn 0026-8976Article

Diffusion in restricted volumeBRODKA, A.Molecular physics (Print). 1994, Vol 82, Num 5, pp 1075-1078, issn 0026-8976Article

Distributed basis sets of s-type Gaussian functions in molecular electronic structure calculationsMONCRIEFF, D; WILSON, S.Molecular physics (Print). 1994, Vol 82, Num 3, pp 523-530, issn 0026-8976Article

Electron paramagnetic resonance specrum of radical pairs in ultraviolet irradiated (NH₄)₂S₂O₈ single crystalsKUO-TUNG LIU; JIANG-TSU YU.Molecular physics (Print). 1994, Vol 83, Num 1, pp 127-135, issn 0026-8976Article

First and second energy derivative analyses for open-shell self-consistent field wavefunctionsYAMAGUCHI, Y; SCHAEFER, H. F; FRENKING, G et al.Molecular physics (Print). 1994, Vol 82, Num 4, pp 713-733, issn 0026-8976Article

Fourier transform high resolution study of the 3v₂, 2v₂ + v₅, v₂ +2v⁰₅ and 3v₅^±1 rovibrationhal bands of CH₃⁷⁹Br from 3830 cm^-1 to 4300 cm^-1NAJATE BEN SARI-ZIZI; ALAMICHEL, C.Molecular physics (Print). 1994, Vol 82, Num 6, pp 1259-1275, issn 0026-8976Article

Frequency-dependence of second refractivity virial coefficients of small molecules between 325 nm and 633 nmHOHM, U.Molecular physics (Print). 1994, Vol 81, Num 1, pp 157-168, issn 0026-8976Article

Generalized coordinate hydrid Monte CarloFORREST, B. M; SUTER, U. W.Molecular physics (Print). 1994, Vol 82, Num 2, pp 393-410, issn 0026-8976Article

Helical motions of aliphatic chains in molecular crystals. The incoherent quasi-elastic neutron scattering lawGUILLAUME, F.Molecular physics (Print). 1994, Vol 81, Num 6, pp 1411-1423, issn 0026-8976Article

Molecular backbending in AgH and its description in terms of q-algebrasMARINOVA, L. P; RAYCHEV, P. P; MARUANI, J et al.Molecular physics (Print). 1994, Vol 82, Num 6, pp 1115-1129, issn 0026-8976Article

Molecular dynamics simulation of semi-flexible mesogensWILSON, M. R.Molecular physics (Print). 1994, Vol 81, Num 3, pp 675-690, issn 0026-8976Article

Molecular viewpoint on high-temperature superconductivity importance of orbital degeneracyMESTECHKIN, M; WHYMAN, G; KLIMKO, G et al.Molecular physics (Print). 1994, Vol 82, Num 6, pp 1079-1098, issn 0026-8976Article

Monte Carlo simulation of semiflexible hard triatomic fluidsYETHIRAJ, A.Molecular physics (Print). 1994, Vol 82, Num 5, pp 957-972, issn 0026-8976Article

NMR relaxation and molecular reorientation over unequal potential barriersLATANOWICZ, L; PAJAK, Z.Molecular physics (Print). 1994, Vol 82, Num 6, pp 1187-1202, issn 0026-8976Article

Non-equilibrium molecular dynamics calculation of heat conduction in liquid and through liquid-gas interfaceIKESHOJI, T; HAFSKJOLD, B.Molecular physics (Print). 1994, Vol 81, Num 2, pp 251-261, issn 0026-8976Article

Phase transitions in thin films of symmetric binary polymer mixturesKUMAR, S. K; HAI TANG; SZLEIFER, I et al.Molecular physics (Print). 1994, Vol 81, Num 4, pp 867-872, issn 0026-8976Article

Relative strengths of axial and equatorial bonds and site preferences for ligand substitution on σ-bonded Y-shaped EL₃ complexesMING-DER SU.Molecular physics (Print). 1994, Vol 82, Num 3, pp 567-595, issn 0026-8976Article

Self-diffusion in the nematic and smectic A phases of an aligned fluid of hard spherocylindersVAIDYA, D; KOFKE, D. A; SHUANG TANG et al.Molecular physics (Print). 1994, Vol 83, Num 1, pp 101-112, issn 0026-8976Article

Spectra of the rare gas hydrides. V: The np Rydberg series of KrDDABROWSKI, I; SADOVSKII, D. A.Molecular physics (Print). 1994, Vol 81, Num 2, pp 291-326, issn 0026-8976Article