Manuel J. Louwerse: search on Z-Library

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1

Catalytic cleavage of lignin β-O-4 link mimics using copper on alumina and magnesia–alumina

Strassberger, Zea, Alberts, Albert H., Louwerse, Manuel J., Tanase, Stefania, Rothenberg, Gadi

Journal:

Green Chemistry

Year:

2013

Language:

english

File:

PDF, 524 KB

english, 2013

2

Revisiting Hansen solubility parameters by including thermodynamics

Louwerse, Manuel J, Maldonado, Ana G., Rousseau, Simon, Moreau-Masselon, Chloe, Roux, Bernard, Rothenberg, Gadi

Journal:

Year:

2017

Language:

english

File:

PDF, 3.43 MB

english, 2017

3

The Role of Equatorial and Axial Ligands in Promoting the Activity of Non-Heme Oxidoiron(IV) Catalysts in Alkane Hydroxylation

Leonardo Bernasconi, Manuel J. Louwerse, Evert Jan Baerends

Journal:

European Journal of Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 248 KB

english, 2007

4

Influence of the Copper Coordination Geometry on the DNA Cleavage Activity of Clip-Phen Complexes Studied by DFT

Paul de Hoog, Manuel J. Louwerse, Patrick Gamez, Marguerite Pitié, Evert Jan Baerends, Bernard Meunier, Jan Reedijk

Journal:

European Journal of Inorganic Chemistry

Year:

2008

Language:

english

File:

PDF, 289 KB

english, 2008

5

Ab initio molecular dynamics simulation of the OH radical in liquid water

Peter Vassilev, Manuel J. Louwerse, Evert Jan Baerends

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 271 KB

english, 2004

6

Calculation of pressure in case of periodic boundary conditions

Manuel J. Louwerse, Evert Jan Baerends

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 200 KB

english, 2006

7

Modeling solvent effects on electron-spin-resonance hyperfine couplings by frozen-density embedding

Neugebauer, Johannes, Louwerse, Manuel J., Belanzoni, Paola, Wesolowski, Tomasz A., Baerends, Evert Jan

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 855 KB

english, 2005

8

Modeling Catalyst Preparation: The Structure of Impregnated–Dried Copper Chloride on γ-Alumina at Low Loadings

Louwerse, Manuel J., Rothenberg, Gadi

Journal:

Year:

2013

Language:

english

File:

PDF, 1.43 MB

english, 2013

9

Transferable basis sets of numerical atomic orbitals

Louwerse, Manuel J., Rothenberg, Gadi

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.00 MB

english, 2012

10

Hydroxyl Radical and Hydroxide Ion in Liquid Water: A Comparative Electron Density Functional Theory Study

Vassilev, Peter, Louwerse, Manuel J., Baerends, Evert Jan

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 241 KB

english, 2005

11

Oxidation of Methanol by FeO 2+ in Water: DFT Calculations in the Gas Phase and Ab Initio MD Simulations in Water Solution

Louwerse, Manuel J., Vassilev, Peter, Baerends, Evert Jan

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 378 KB

english, 2008

12

New tricks by very old dogs: predicting the catalytic hydrogenation of HMF derivatives using Slater-type orbitals

Ras, Erik-Jan, Louwerse, Manuel J., Rothenberg, Gadi

Journal:

Catalysis Science & Technology

Year:

2012

Language:

english

File:

PDF, 2.82 MB

english, 2012

13

Predicting adsorption on metals: simple yet effective descriptors for surface catalysis

Ras, Erik-Jan, Louwerse, Manuel J., Mittelmeijer-Hazeleger, Marjo C., Rothenberg, Gadi

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.28 MB

english, 2013

14

The merits of the frozen-density embedding scheme to model solvatochromic shifts

Neugebauer, Johannes, Louwerse, Manuel J., Baerends, Evert Jan, Wesolowski, Tomasz A.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 524 KB

english, 2005

15

Size and Promoter Effects in Supported Iron Fischer–Tropsch Catalysts: Insights from Experiment and Theory

Xie, Jingxiu, Yang, Jia, Dugulan, A. Iulian, Holmen, Anders, Chen, De, de Jong, Krijn P., Louwerse, Manuel J.

Journal:

Year:

2016

Language:

english

File:

PDF, 6.07 MB

english, 2016

16

Cover Feature: Revisiting Hansen Solubility Parameters by Including Thermodynamics (ChemPhysChem 21/2017)

Louwerse, Manuel J., Maldonado, Ana, Rousseau, Simon, Moreau-Masselon, Chloe, Roux, Bernard, Rothenberg, Gadi

Journal:

Year:

2017

File:

PDF, 905 KB

2017

17

Diffusion Mechanisms for Ions over Hydroxylated Surfaces: Cu on γ-Al 2 O 3

Louwerse, Manuel J., Piccinini, Marco, de Jong, Krijn P.

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 2.02 MB

english, 2019

18

Diffusion Mechanisms for Ions over Hydroxylated Surfaces: Cu on γ-Al 2 O 3

Louwerse, Manuel J., Piccinini, Marco, de Jong, Krijn P.

Journal:

The Journal of Physical Chemistry C

Year:

2019

File:

PDF, 2.02 MB

2019