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Literature DB >> 11749346

Blue-Shifting Hydrogen Bonds.

Pavel Hobza¹, Zdenek Havlas.

Abstract

Entities: Chemical

Year: 2000 PMID： 11749346 DOI： 10.1021/cr990050q

Source DB: PubMed Journal: Chem Rev ISSN： 0009-2665 Impact factor: 60.622

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Cited

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79 in total

1. Fast estimation of hydrogen-bonding donor and acceptor propensities: a GMIPp study.

Authors: Albert Salichs; M López; V Segarra; Modesto Orozco; F Javier Luque
Journal: J Comput Aided Mol Des Date: 2002 Aug-Sep Impact factor: 3.686

2. Theoretical description of halogen bonding - an insight based on the natural orbitals for chemical valence combined with the extended-transition-state method (ETS-NOCV).

Authors: Mariusz P Mitoraj; Artur Michalak
Journal: J Mol Model Date: 2012-06-06 Impact factor: 1.810

3. Polarization-induced σ-holes and hydrogen bonding.

Authors: Matthias Hennemann; Jane S Murray; Peter Politzer; Kevin E Riley; Timothy Clark
Journal: J Mol Model Date: 2011-10-21 Impact factor: 1.810

4. Non-covalent interactions - QTAIM and NBO analysis.

Authors: Sławomir J Grabowski
Journal: J Mol Model Date: 2012-07-08 Impact factor: 1.810

5. CNXeCl and CNXeBr species as halogen bond donors: a quantum chemical study on the structure, properties, and nature of halogen···nitrogen interactions.

Authors: Mehdi D Esrafili; Parisa Juyban
Journal: J Mol Model Date: 2014-03-29 Impact factor: 1.810

6. Sulfur K-edge XAS and DFT calculations on P450 model complexes: effects of hydrogen bonding on electronic structure and redox potentials.

Authors: Abhishek Dey; Taka-aki Okamura; Norikazu Ueyama; Britt Hedman; Keith O Hodgson; Edward I Solomon
Journal: J Am Chem Soc Date: 2005-08-31 Impact factor: 15.419

Blue-Shifting Hydrogen Bonds.

1. Fast estimation of hydrogen-bonding donor and acceptor propensities: a GMIPp study.

2. Theoretical description of halogen bonding - an insight based on the natural orbitals for chemical valence combined with the extended-transition-state method (ETS-NOCV).

3. Polarization-induced σ-holes and hydrogen bonding.

4. Non-covalent interactions - QTAIM and NBO analysis.

5. CNXeCl and CNXeBr species as halogen bond donors: a quantum chemical study on the structure, properties, and nature of halogen···nitrogen interactions.

6. Sulfur K-edge XAS and DFT calculations on P450 model complexes: effects of hydrogen bonding on electronic structure and redox potentials.

7. Hydrogen bonds and other interactions as a response to protect doublet/octet electron structure.

8. Modelling of carbohydrate-aromatic interactions: ab initio energetics and force field performance.

9. Discovery of σ-hole interactions involving ylides.

10. Computational study on C-H...π interactions of acetylene with benzene, 1,3,5-trifluorobenzene and coronene.