Ab initio Monte Carlo simulation using multicanonical algorithm: temperature dependence of the average structure of water dimer

By Bandyopadhyay Pradipta   Ten-No Seiichiro   Iwata Suehiro  

Molecular Physics, Vol. 96, Iss. 3, 1999-02 ,pp. : 349-358

Taylor & Francis Ltd

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A new potential energy surface for the water dimer obtained from separate fits of ab initio electrostatic, induction, dispersion and exchange energy contributions†

By Torheyden Martin   Jansen Georg  

Molecular Physics, Vol. 104, Iss. 13-14, 2006-07 ,pp. : 2101-2138

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Study of electron capture and ionization in proton collisions with N2 using ab initio methods

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Journal of Physics: Conference Series , Vol. 488, Iss. 10, 2014-04 ,pp. : 22-22

IOP Publishing

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Ab initio methane dimer intermolecular potentials

By Nagy Jenö   Weaver Donald   Smith Vedene  

Molecular Physics, Vol. 85, Iss. 6, 1995-08 ,pp. : 1179-1192

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Ab initio calculations on the H 4 van der Waals dimer: perturbation dispersion energy versus CI treatment

By Jaszuński Michał   Kochanski Elise   Siegbahn Per  

Molecular Physics, Vol. 33, Iss. 1, 1977-01 ,pp. : 139-146

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