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Applications of Computational Chemistry in Soil Research

  • Martin Gerzabek
  • , Adelia Aquino
  • , Georg Haberhauer
  • , Daniel Tunega
  • , Hans Lischka

Research output: Chapter in Book or Conference ProceedingsConference Proceedings with Oral Presentationpeer-review

Abstract

Although at present seldom used, numerous applications in soil science, especially in pollution research, can be envisaged for computations chemistry. In this paper we examplify quite different applications of CC in soil research: (i) the interaction of organic acids with aluminium, (ii) the use of the ONIOM technique to study adsorption sites on clay minerals and (iii) the possible interactions of organic compounds with functional groups of humic substances
Original languageEnglish
Title of host publicationXXXIIth Annual Meeting of ESNA Working Group3, Soil Plant Relationships
Pages44-50
Number of pages7
Publication statusPublished - 2003
EventXXXIIth Annual Meeting of ESNA -
Duration: 1 Jan 2003 → …

Conference

ConferenceXXXIIth Annual Meeting of ESNA
Period1/01/03 → …

Research Field

  • Not defined

Keywords

  • Applications
  • computational
  • chemistry
  • soil
  • research
  • Proceedings
  • Conference

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