The World of Non-Covalent Interactions: 2006

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Title:The World of Non-Covalent Interactions: 2006
Creators:
Hobza, Pavel
Zahradník, Rudolf
Müller-Dethlefs, Klaus
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 71, 4, pp. 443-531
Uncontrolled Keywords:Non-covalent (van der Waals) interactions, ZEKE spectroscopy, Hole-burning, REMPI, Molecular modelling, Molecular clusters

Abstract

The review focusses on the fundamental importance of non-covalent interactions in nature by illustrating specific examples from chemistry, physics and the biosciences. Laser spectroscopic methods and both <i>ab initio</i> and molecular modelling procedures used for the study of non-covalent interactions in molecular clusters are briefly outlined. The role of structure and geometry, stabilization energy, potential and free energy surfaces for molecular clusters is extensively discussed in the light of the most advanced <i>ab initio</i> computational results for the CCSD(T) method, extrapolated to the <i>CBS</i> limit. The most important types of non-covalent complexes are classified and several small and medium size non-covalent systems, including H-bonded and improper H-bonded complexes, nucleic acid base pairs, and peptides and proteins are discussed with some detail. Finally, we evaluate the interpretation of experimental results in comparison with state of the art theoretical models: this is illustrated for phenol...Ar, the benzene dimer and nucleic acid base pairs. A review with 270 references.

Title:The World of Non-Covalent Interactions: 2006
Creators:
Hobza, Pavel
Zahradník, Rudolf
Müller-Dethlefs, Klaus
Uncontrolled Keywords:Non-covalent (van der Waals) interactions, ZEKE spectroscopy, Hole-burning, REMPI, Molecular modelling, Molecular clusters
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:71
Number:4
Page Range:pp. 443-531
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc20060443UNSPECIFIED
ID Code:2489
Item Type:Article
Deposited On:06 Feb 2009 17:19
Last Modified:06 Feb 2009 16:19

Citation

Hobza, Pavel; Zahradník, Rudolf; Müller-Dethlefs, Klaus (2006) The World of Non-Covalent Interactions: 2006. Collection of Czechoslovak Chemical Communications, 71 (4). pp. 443-531. ISSN 0010-0765

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