SERENA: a program for calculating X-ray diffuse scattering intensities from molecular dynamics trajectories Export

@article{citeulike:5470478, abstract = {Displacements of atoms from their ideal periodic positions in molecular crystals lead to X-ray diffuse scattering. The program SERENA calculates the diffuse scattering from a collection of atomic configurations. This enables diffuse scattering to be calculated from a molecular dynamics simulation and directly compared with experiment.}, author = {Micu, A.}, citeulike-article-id = {5470478}, citeulike-linkout-0 = {http://dx.doi.org/10.1016/0010-4655(95)00057-M}, citeulike-linkout-1 = {http://linkinghub.elsevier.com/retrieve/pii/0010-4655(95)00057-M}, day = {02}, doi = {10.1016/0010-4655(95)00057-M}, issn = {00104655}, journal = {Computer Physics Communications}, month = {September}, number = {1-3}, pages = {331--338}, posted-at = {2009-08-18 21:56:34}, priority = {2}, title = {SERENA: a program for calculating X-ray diffuse scattering intensities from molecular dynamics trajectories}, url = {http://dx.doi.org/10.1016/0010-4655(95)00057-M}, volume = {91}, year = {1995} }

TY - JOUR ID - citeulike:5470478 L3 - citeulike-article-id:5470478 N2 - Displacements of atoms from their ideal periodic positions in molecular crystals lead to X-ray diffuse scattering. The program SERENA calculates the diffuse scattering from a collection of atomic configurations. This enables diffuse scattering to be calculated from a molecular dynamics simulation and directly compared with experiment. IS - 1-3 JF - Computer Physics Communications SN - 00104655 EP - 338 TI - SERENA: a program for calculating X-ray diffuse scattering intensities from molecular dynamics trajectories VL - 91 SP - 331 AU - Micu, A PY - 1995/09/02/ UR - http://dx.doi.org/10.1016/0010-4655(95)00057-M ER -