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From the X-rays to a reliable “low cost” computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics–X-ray diffraction approach to condensed phases
Giuseppe M. Lombardo, Gustavo Portalone, Marcello Colapietro, Antonio Rescifina, Francesco PunzoVolume:
994
Year:
2011
Language:
english
Pages:
10
DOI:
10.1016/j.molstruc.2011.03.001
File:
PDF, 1.04 MB
english, 2011