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Thermodynamic Study of the Chlorine Content of Stainless Steel

Metallurgical and materials transactions. B, Process metallurgy and materials processing science, 2021-04, Vol.52 (2), p.840-853

2021

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Predicting Regioselectivity in Nucleophilic Aromatic Substitution

Journal of organic chemistry, 2012-04, Vol.77 (7), p.3262-3269

2012

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Correction to: Thermodynamic Study of the Chlorine Content of Stainless Steel

Metallurgical and materials transactions. B, Process metallurgy and materials processing science, 2021-06, Vol.52 (3), p.1921-1921

2021

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Validation of a Computational Model for Predicting the Site for Electrophilic Substitution in Aromatic Systems

Journal of organic chemistry, 2010-07, Vol.75 (14), p.4696-4705

2010

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A pragmatic procedure for predicting regioselectivity in nucleophilic substitution of aromatic fluorides

Tetrahedron letters, 2011-06, Vol.52 (24), p.3150-3153

2011

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Application of the method of increments to the adsorption of CO on the CeO2(110) surface

The Journal of chemical physics, 2008-06, Vol.128 (21), p.214701-214701

2008

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Electronic structure of the CeO2(110) surface oxygen vacancy

Surface science, 2005-12, Vol.599 (1-3), p.173-186

2005

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Separation of Racemic Bicalutamide by an Optimized Combination of Continuous Chromatography and Selective Crystallization

Organic process research & development, 2012-02, Vol.16 (2), p.331-342

2012

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CO adsorption on CeO2(110) using hybrid-DFT embedded-cluster calculations

Chemical physics, 2006-09, Vol.328 (1-3), p.345-353

2006

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Oxygen vacancy formation for transient structures on the CeO2(110) surface at 300 and 750 K

The Journal of chemical physics, 2007-06, Vol.126 (23), p.234706-234706

2007

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Design of an Integrated Process of Chromatography, Crystallization and Racemization for the Resolution of 2′,6′-Pipecoloxylidide (PPX)

Organic process research & development, 2012-02, Vol.16 (2), p.343-352

2012

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A combined molecular dynamics+quantum mechanics method for investigation of dynamic effects on local surface structures

The Journal of chemical physics, 2004-03, Vol.120 (10), p.4939-4948

2004

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Assessment methods for embedding schemes – Ceria as an example

Surface science, 2009-12, Vol.603 (23), p.3329-3338

2009

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Oxygen vacancy formation for transient structureson the Ce O 2 ( 110 ) surface at 300 and 750 K

The Journal of chemical physics, 2007-06, Vol.126 (23), p.234706-234706-8

2007

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Application of the method of increments to the adsorption of COon the Ce O 2 ( 110 ) surface

The Journal of chemical physics, 2008-06, Vol.128 (21), p.214701-214701-8

2008

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Influence of Substrate Dynamics on CO−MgO(001) BondingUsing Molecular Dynamics Snapshots in Quantum-Chemical Calculations

The journal of physical chemistry. B, 2006-03, Vol.110 (11), p.5473-5479

2006

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Influence of Substrate Dynamics on CO−MgO(001) BondingUsing Molecular Dynamics Snapshots in Quantum-Chemical Calculations

The journal of physical chemistry. B, 2006-03, Vol.110 (11), p.5473-5479

2006

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Electronic structure of the CeO 2(1 1 0) surface oxygen vacancy

Surface science, 2005, Vol.599 (1), p.173-186

2005

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Characterization of the Metal−Ceramic Bonding in the Ag/MgO(001) Interface from ab Initio Calculations

The journal of physical chemistry. B, 2003-10, Vol.107 (43), p.11893-11899

2003

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Combined molecular dynamics and embedded-cluster calculations in metal oxide surface chemistry

Herschend, Björn

2005

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Thermodynamic Study of the Chlorine Content of Stainless Steel

Predicting Regioselectivity in Nucleophilic Aromatic Substitution

Correction to: Thermodynamic Study of the Chlorine Content of Stainless Steel

Validation of a Computational Model for Predicting the Site for Electrophilic Substitution in Aromatic Systems

A pragmatic procedure for predicting regioselectivity in nucleophilic substitution of aromatic fluorides

Application of the method of increments to the adsorption of CO on the CeO2(110) surface

Electronic structure of the CeO2(110) surface oxygen vacancy

Separation of Racemic Bicalutamide by an Optimized Combination of Continuous Chromatography and Selective Crystallization

CO adsorption on CeO2(110) using hybrid-DFT embedded-cluster calculations

Oxygen vacancy formation for transient structures on the CeO2(110) surface at 300 and 750 K

Design of an Integrated Process of Chromatography, Crystallization and Racemization for the Resolution of 2′,6′-Pipecoloxylidide (PPX)

A combined molecular dynamics+quantum mechanics method for investigation of dynamic effects on local surface structures

Assessment methods for embedding schemes – Ceria as an example

Oxygen vacancy formation for transient structureson the Ce O 2 ( 110 ) surface at 300 and 750 K

Application of the method of increments to the adsorption of COon the Ce O 2 ( 110 ) surface

Influence of Substrate Dynamics on CO−MgO(001) BondingUsing Molecular Dynamics Snapshots in Quantum-Chemical Calculations

Influence of Substrate Dynamics on CO−MgO(001) BondingUsing Molecular Dynamics Snapshots in Quantum-Chemical Calculations

Electronic structure of the CeO 2(1 1 0) surface oxygen vacancy

Characterization of the Metal−Ceramic Bonding in the Ag/MgO(001) Interface from ab Initio Calculations

Combined molecular dynamics and embedded-cluster calculations in metal oxide surface chemistry

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