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Aspartate Glycosylation Triggers Isomerization to Isoaspartate

Journal of the American Chemical Society, 2017-03, Vol.139 (9), p.3332-3335

2017

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Structure-Based Evolution of Low Nanomolar O‑GlcNAc Transferase Inhibitors

Journal of the American Chemical Society, 2018-10, Vol.140 (42), p.13542-13545

2018

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Implementation of empirical dispersion corrections to density functional theory for periodic systems

Journal of computational chemistry, 2012-09, Vol.33 (25), p.2023-2031

2012

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Extreme responses of a coupled scalar-particle system during turbulent mixing

New journal of physics, 2012-11, Vol.14 (11), p.115020

2012

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Visual Soccer Analytics: Understanding the Characteristics of Collective Team Movement Based on Feature-Driven Analysis and Abstraction

ISPRS international journal of geo-information, 2015-12, Vol.4 (4), p.2159-2184

2015

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Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems

The Journal of chemical physics, 2007-01, Vol.126 (4), p.044108-044108

2007

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Organoboron-based allylation approach to the total synthesis of the medium-ring dilactone (+)-antimycin A(1b)

Journal of organic chemistry, 2014-08, Vol.79 (16), p.7415-7424

2014

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Indium-Promoted Chemo- and Diastereoselective Allylation of α,β-Epoxy Ketones with Potassium Allyltrifluoroborate

Organic letters, 2010-12, Vol.12 (23), p.5490-5493

2010

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Theoretical Investigation of Formamide Adsorption on Ag(111) Surfaces

Journal of physical chemistry. C, 2009-06, Vol.113 (24), p.10541-10547

2009

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Surface relaxation phenomena at electrified interfaces: Revealing adsorbate, potential, and solvent effects by combined x-ray diffraction, STM and DFT studies

Physical review. B, Condensed matter and materials physics, 2009-03, Vol.79 (11), Article 115448

2009

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Miscibility of Zinc Chalcogenides

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-06, Vol.108 (25), p.5449-5453

2004

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A MinMax self-consistent-field approach for auxiliary density functional theory

The Journal of chemical physics, 2009-03, Vol.130 (11), p.114106-114106

2009

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Novel dinuclear and trinuclear palladium beta-diiminate complexes containing amido-chloro double-bridges

Dalton transactions : an international journal of inorganic chemistry, 2008-01 (25), p.3279-3281

2008

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Parallelization of the deMon2k code

Journal of computational chemistry, 2006-03, Vol.27 (4), p.483-490

2006

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Effects of long-range interactions in cyclic cluster calculations of metal oxides

The Journal of chemical physics, 2002-05, Vol.116 (20), p.8994-9004

2002

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Potential soil associations of geomorphological units of the landscapes of Schleswig-Holstein/Northwest Germany as basis for soil mapping

Zeitschrift für Geomorphologie, 2009-06, Vol.53 (2), p.199-215

2009

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Palladium β-diiminate chemistry: Reactivity towards monodentate ligands and arylboronic acids

Inorganica Chimica Acta, 2012-01, Vol.380, p.308-321

2012

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Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations

Journal of computational chemistry, 2008-10, Vol.29 (13), p.2295-2301

2008

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Characterization of the active site of yeast RNA polymerase II by DFT and ReaxFF calculations

Theoretical chemistry accounts, 2008-07, Vol.120 (4-6), p.479-489

2008

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Development of the cyclic cluster model formalism for Kohn-Sham auxiliary density functional theory methods

The Journal of chemical physics, 2008-01, Vol.128 (2), p.024102-024102-14

2008

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First-principles periodic and semiempirical cyclic cluster calculations for single oxygen vacancies in crystalline Al2O3

Physica Status Solidi (b), 2004-04, Vol.241 (5), p.1032-1040

2004

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Polarizabilities and first hyperpolarizabilities of stilbene analogues

Chemical physics, 2003-02, Vol.287 (1), p.161-168

2003

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First principle α-π energy separation

Theoretical chemistry accounts, 2006-02, Vol.115 (1), p.73-73

2006

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First principle σ-π energy separation

Theoretical chemistry accounts, 2005-09, Vol.114 (1-3), p.137-144

2005

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Calculation of heat capacities and entropies of metal halides with quantum chemical methods

The Journal of chemical physics, 2001-04, Vol.114 (13), p.5472-5481

2001

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Aspartate Glycosylation Triggers Isomerization to Isoaspartate

Structure-Based Evolution of Low Nanomolar O‑GlcNAc Transferase Inhibitors

Implementation of empirical dispersion corrections to density functional theory for periodic systems

Extreme responses of a coupled scalar-particle system during turbulent mixing

Visual Soccer Analytics: Understanding the Characteristics of Collective Team Movement Based on Feature-Driven Analysis and Abstraction

Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems

Organoboron-based allylation approach to the total synthesis of the medium-ring dilactone (+)-antimycin A(1b)

Indium-Promoted Chemo- and Diastereoselective Allylation of α,β-Epoxy Ketones with Potassium Allyltrifluoroborate

Theoretical Investigation of Formamide Adsorption on Ag(111) Surfaces

Surface relaxation phenomena at electrified interfaces: Revealing adsorbate, potential, and solvent effects by combined x-ray diffraction, STM and DFT studies

Miscibility of Zinc Chalcogenides

A MinMax self-consistent-field approach for auxiliary density functional theory

Novel dinuclear and trinuclear palladium beta-diiminate complexes containing amido-chloro double-bridges

Parallelization of the deMon2k code

Effects of long-range interactions in cyclic cluster calculations of metal oxides

Potential soil associations of geomorphological units of the landscapes of Schleswig-Holstein/Northwest Germany as basis for soil mapping

Palladium β-diiminate chemistry: Reactivity towards monodentate ligands and arylboronic acids

Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations

Characterization of the active site of yeast RNA polymerase II by DFT and ReaxFF calculations

Development of the cyclic cluster model formalism for Kohn-Sham auxiliary density functional theory methods

First-principles periodic and semiempirical cyclic cluster calculations for single oxygen vacancies in crystalline Al2O3

Polarizabilities and first hyperpolarizabilities of stilbene analogues

First principle α-π energy separation

First principle σ-π energy separation

Calculation of heat capacities and entropies of metal halides with quantum chemical methods

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