The aqueous and crystalline forms of L-alanine zwitterion: a density functional computational study

I.M. Degtyarenko, K.J. Jalkanen, A.A. Gurtovenko, R.M. Nieminen

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
Pages (from-to)277-285
JournalJournal of Computational and Theoretical Nanoscience
Publication statusPublished - 2008
MoE publication typeA1 Journal article-refereed


  • crystal
  • DFT
  • hydrated alanine
  • molecular dynamics
  • siesta
  • water

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