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The Journal of Chemical Physics|July 10, 2014
Principal component analysis of molecular dynamics: on the use of Cartesian vs. internal coordinatesFlorian Sittel, Abhinav Jain, Gerhard StockThe Journal of Chemical Physics|July 10, 2014
Revisiting the relaxation dynamics of isolated pyrroleRaúl Montero, Virginia Ovejas, Marta Fernández-Fernández, et al.The Journal of Chemical Physics|July 10, 2014
Evidence of the existence of the high-density and low-density phases in deeply-cooled confined heavy water under high pressuresZhe Wang, Kao-Hsiang Liu, Leland Harriger, et al.The Journal of Chemical Physics|July 10, 2014
On the phase and interface behavior along the three-phase line of ternary Lennard-Jones mixtures: a collaborative approach based on square gradient theory and molecular dynamics simulationsJosé Matías Garrido, Héctor Quinteros-Lama, Manuel M Piñeiro, et al.The Journal of Chemical Physics|July 10, 2014
Gaussian semiflexible rings under angular and dihedral restrictionsMaxim Dolgushev, Thomas Guérin, Alexander Blumen, et al.The Journal of Chemical Physics|October 29, 2013
Analytic evaluation of the dipole Hessian matrix in coupled-cluster theoryThomas-C Jagau, Jürgen Gauss, Kenneth RuudThe Journal of Chemical Physics|October 29, 2013
Model-free simulation approach to molecular diffusion tensorsGuillaume Chevrot, Konrad Hinsen, Gerald R KnellerThe Journal of Chemical Physics|October 29, 2013
Direct measurements of collisional Raman line broadening in the S-branch transitions of acetylene (C2H2)Paul S Hsu, Hans U Stauffer, Naibo Jiang, et al.The Journal of Chemical Physics|October 29, 2013
Stationary flow conditions in pulsed supersonic beamsWolfgang ChristenThe Journal of Chemical Physics|October 29, 2013
Perturbation facilitated two-color four-wave-mixing spectroscopy of C3Y Sych, P Bornhauser, G Knopp, et al.Pageof 5,300