(Q57390234)

3

object named as

Barbara Kirchner

0 references

Patricia Anne Hunt

4

object named as

Patricia A. Hunt

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author name string

Simone Koßmann

1

0 references

Jens Thar

Journal of Chemical Physics

2

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language of work or name

English

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publication date

7 May 2006

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published in

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volume

124

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issue

17

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page(s)

174506

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cites work

Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis

1 reference

Ionic liquids in catalysis

21 January 2018

1 reference

Structure of ionic liquids of 1-alkyl-3-methylimidazolium cations: a systematic computer simulation study

21 January 2018

1 reference

Solvation of uranyl(II) and europium(III) cations and their chloro complexes in a room-temperature ionic liquid. A theoretical study of the effect of solvent "humidity".

21 January 2018

1 reference

Gaseous supramolecules of imidazolium ionic liquids: "magic" numbers and intrinsic strengths of hydrogen bonds.

21 January 2018

1 reference

Structure and conformation properties of 1-alkyl-3-methylimidazolium halide ionic liquids: a density-functional theory study

21 January 2018

1 reference

Structural characterization of the 1-butyl-3-methylimidazolium chloride ion pair using ab initio methods.

21 January 2018

1 reference

Ab initio molecular dynamics of liquid 1,3-dimethylimidazolium chloride.

21 January 2018

1 reference

Ab initio molecular dynamics simulation of a room temperature ionic liquid

21 January 2018

1 reference

Comparison of fully optimized alpha- and 3(10)-helices with extended beta-strands. An ONIOM density functional theory study.

21 January 2018

1 reference

Ab Initio Calculations of17O NMR-Chemical Shifts for Water. The Limits of PCM Theory and the Role of Hydrogen-Bond Geometry and Cooperativity

21 January 2018

1 reference

Understanding the template preorganization step of an artificial arginine receptor

21 January 2018

1 reference

Electronic structure calculations on workstation computers: The program system turbomole

21 January 2018

1 reference

Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

1 reference

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

21 January 2018

1 reference

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

Molden: a pre- and post-processing program for molecular and electronic structures.

21 January 2018

1 reference

Accurate description of van der Waals complexes by density functional theory including empirical corrections

21 January 2018

1 reference

Electronic stabilization of nucleophilic carbenes

21 January 2018

1 reference

The influence of chain dynamics on the far-infrared spectrum of liquid methanol

21 January 2018

1 reference

Stabilization of diazene in Fe(II)-sulfur model complexes relevant for nitrogenase activity. I. A new approach to the evaluation of intramolecular hydrogen bond energies

21 January 2018

1 reference

A Wavefunction-Based Criterion for the Detection of Intermolecular Interactions in Molecular Dynamics Simulations

21 January 2018

1 reference