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Molecular Modelling für Anwender: Anwendung von Kraftfeld- und MO-Methoden in der organischen Chemie

Kunz, Roland W

2., überarbeitete und erweiterte Auflage., 1997

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2D NOESY of palladium .pi.-allyl complexes. Reporter ligands, complex dynamics, and the x-ray structure of [Pd(.eta.3-C4H7)(bpy)](CF3SO3) (bpy = bipyridine)

Organometallics, 1991-06, Vol.10 (6), p.1800-1806

1991

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X-ray diffraction, multidimensional NMR spectroscopy, and MM2 calculations on chiral allyl complexes of palladium(II)

Organometallics, 1994-01, Vol.13 (1), p.83-90

1994

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Preparative and structural chemistry of chiral P,N-bidentate complexes of palladium(II) and platinum(II)

Inorganic chemistry, 1993-02, Vol.32 (4), p.478-486

1993

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Probing the chemistry of organomanganese complexes: correlation of chemical reactivity, manganese-55 NMR chemical shifts, and molecular orbital studies of organomanganese complexes. Aromaticity of an organomanganese complex

Organometallics, 1989-06, Vol.8 (6), p.1381-1388

1989

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Production of large sodium clusters (Na x,. x⩽65) by seeded beam expansions

Chemical physics letters, 1982-10, Vol.91 (6), p.413-418

1982

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Cellular Nonlinear Network Grids - a new Grid Computing Approach

The 4th International Symposium on Parallel and Distributed Computing (ISPDC'05), 2005, p.39-42

Kunz, R.

2005

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2D NOESY studies on [Pd(η3-C10H15){(R)( + )-BINAP}]+ defining the relative spatial orientation of the phenyl and π-allyl moieties

Magnetic resonance in chemistry, 1991-03, Vol.29 (3), p.197-203

1991

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Platinum (II) complexes with four ligating phosphorus atoms. Crystal and molecular structure of [Pt(PEt3)4] (ClO4)2. Discussion of electronic spectra of planar and tetrahedrally distorted PtP4 chromophores

Inorganica Chimica Acta, 1984-07, Vol.86 (3), p.155-163

1984

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On the structure of [η 4-2,5-bis(trimethylsilyl)cyclopentadienone](η 5-cyclopentadienyl)cobalt

Journal of organometallic chemistry, 1986-05, Vol.306 (2), p.241-249

1986

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31P-NMR and X-Ray Studies of the Complexes [HgX2 (1)]. (1=2, 11-bis (diphenylphosphinomethyl)benzo [c]phenanthrene, X=Cl, I)

Helvetica chimica acta, 1983-09, Vol.66 (6), p.1661-1671

1983

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Camera steered mechanical weed control in sugar beet, maize and soybean

Precision agriculture, 2018-08, Vol.19 (4), p.708-720

2018

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Ion-specific thermodynamics of multicomponent electrolytes: A hybrid HNC/MD approach

The Journal of chemical physics, 2009-10, Vol.131 (15), p.154109-154109-12

2009

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Supramolecular Approaches to Improve the Performance of Ruthenium‐Based Water Oxidation Catalysts

Advanced energy materials, 2017-08, Vol.7 (16), p.n/a

2017

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Hofmeister specific-ion effects on enzyme activity and buffer pH: Horseradish peroxidase in citrate buffer

Journal of molecular liquids, 2006-01, Vol.123 (1), p.14-19

2006

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Achieving higher accuracies for process simulations by implementing the new reference equation for natural gases

Computers & chemical engineering, 2012-02, Vol.37, p.15-21

2012

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EOS-LNG: A Fundamental Equation of State for the Calculation of Thermodynamic Properties of Liquefied Natural Gases

Journal of physical and chemical reference data, 2019-09, Vol.48 (3), p.033102

2019

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Experimental and numerical study of the effects of a nanocrystallisation treatment on high-temperature oxidation of a zirconium alloy

Corrosion science, 2012-07, Vol.60, p.224-230

2012

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Ammonia Plasma Functionalized Polycarbonate Surfaces Improve Cell Migration Inside an Artificial 3D Cell Culture Module

Plasma processes and polymers, 2012-03, Vol.9 (3), p.261-272

2012

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Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules

The Journal of chemical physics, 2012-03, Vol.136 (12), p.124103-124103-11

2012

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Ion Specificity of Confined Ion–Water Structuring and Nanoscale Surface Forces in Clays

The journal of physical chemistry. B, 2022-07, Vol.126 (26), p.4977-4989

2022

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Force fields for divalent cations based on single-ion and ion-pair properties

The Journal of chemical physics, 2013-01, Vol.138 (2), p.024505-024505

2013

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2H and 13C nuclear spin relaxation unravels dynamic heterogeneities in deep eutectic solvents of ethylene glycol, glycerol, or urea with choline chloride

The Journal of chemical physics, 2023-12, Vol.159 (22)

2023

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Rational design of ion force fields based on thermodynamic solvation properties

The Journal of chemical physics, 2009-03, Vol.130 (12), p.124507-124507

2009

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Consistent description of ion-specificity in bulk and at interfaces by solvent implicit simulations and mean-field theory

The Journal of chemical physics, 2020-07, Vol.153 (3), p.034103-034103

2020

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Molecular Modelling für Anwender: Anwendung von Kraftfeld- und MO-Methoden in der organischen Chemie

2D NOESY of palladium .pi.-allyl complexes. Reporter ligands, complex dynamics, and the x-ray structure of [Pd(.eta.3-C4H7)(bpy)](CF3SO3) (bpy = bipyridine)

X-ray diffraction, multidimensional NMR spectroscopy, and MM2 calculations on chiral allyl complexes of palladium(II)

Preparative and structural chemistry of chiral P,N-bidentate complexes of palladium(II) and platinum(II)

Probing the chemistry of organomanganese complexes: correlation of chemical reactivity, manganese-55 NMR chemical shifts, and molecular orbital studies of organomanganese complexes. Aromaticity of an organomanganese complex

Production of large sodium clusters (Na x,. x⩽65) by seeded beam expansions

Cellular Nonlinear Network Grids - a new Grid Computing Approach

2D NOESY studies on [Pd(η3-C10H15){(R)( + )-BINAP}]+ defining the relative spatial orientation of the phenyl and π-allyl moieties

Platinum (II) complexes with four ligating phosphorus atoms. Crystal and molecular structure of [Pt(PEt3)4] (ClO4)2. Discussion of electronic spectra of planar and tetrahedrally distorted PtP4 chromophores

On the structure of [η 4-2,5-bis(trimethylsilyl)cyclopentadienone](η 5-cyclopentadienyl)cobalt

31P-NMR and X-Ray Studies of the Complexes [HgX2 (1)]. (1=2, 11-bis (diphenylphosphinomethyl)benzo [c]phenanthrene, X=Cl, I)

Camera steered mechanical weed control in sugar beet, maize and soybean

Ion-specific thermodynamics of multicomponent electrolytes: A hybrid HNC/MD approach

Supramolecular Approaches to Improve the Performance of Ruthenium‐Based Water Oxidation Catalysts

Hofmeister specific-ion effects on enzyme activity and buffer pH: Horseradish peroxidase in citrate buffer

Achieving higher accuracies for process simulations by implementing the new reference equation for natural gases

EOS-LNG: A Fundamental Equation of State for the Calculation of Thermodynamic Properties of Liquefied Natural Gases

Experimental and numerical study of the effects of a nanocrystallisation treatment on high-temperature oxidation of a zirconium alloy

Ammonia Plasma Functionalized Polycarbonate Surfaces Improve Cell Migration Inside an Artificial 3D Cell Culture Module

Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules

Ion Specificity of Confined Ion–Water Structuring and Nanoscale Surface Forces in Clays

Force fields for divalent cations based on single-ion and ion-pair properties

2H and 13C nuclear spin relaxation unravels dynamic heterogeneities in deep eutectic solvents of ethylene glycol, glycerol, or urea with choline chloride

Rational design of ion force fields based on thermodynamic solvation properties

Consistent description of ion-specificity in bulk and at interfaces by solvent implicit simulations and mean-field theory

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