Rosa E. Bulo - Publications, H-index & Citations

Rosa E. Bulo

Utrecht University

23H指数

57论文数

1.6K被引数

收录论文 21

发表时间

Understanding Water-Zeolite Interactions: On the Accuracy of Density Functionals

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-09-08

OAAI

Stanciakova, Katarina; Louwen, Jaap N.; Weckhuysen, Bert M.; Bulo, Rosa E.; Goeltl, Florian

Role of Rare Earth Ions in the Prevention of Dealumination of Zeolite Y for Fluid Cracking Catalysts

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-02-05

OAAI

Louwen, Jaap N.; Simko, Stanislav; Stanciakova, Katarina; Bulo, Rosa E.; Weckhuysen, Bert M.; Vogt, Eelco T. C.

Insights into the activation of silica-supported metallocene olefin polymerization catalysts by methylaluminoxane 通过甲基铝氧烷活化二氧化硅负载的茂金属烯烃聚合催化剂的见解

CATALYSIS TODAY

IF5.3

2019-08-01

OAAI

Velthoen, Marjolein E. Z.; Boereboom, Jelle M.; Bulo, Rosa E.; Weckhuysen, Bert M.

Cooperative Role of Water Molecules during the Initial Stage of Water-Induced Zeolite Dealumination

ACS CATALYSIS

IF13.1

2019-05-03

OAAI

Stanciakova, Katarina; Ensing, Bernd; Goltl, Florian; Bulo, Rosa E.; Weckhuysen, Bert M.

Accurate Quantum Mechanics/Molecular Mechanics Simulation of Aqueous Solutions with Tailored Molecular Mechanics Models

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-06-05

PREAI

Jiang, Tao; Simko, Stanislav; Bulo, Rosa E.

Explicit Solvation Matters: Performance of QM/MM Solvation Models in Nucleophilic Addition

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-02-13

OAAI

Boereboom, Jelle M.; Fleurat-Lessard, Paul; Bulo, Rosa E.

Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2016-07-11

OAAI

Boereboom, Jelle M.; Potestio, Raffaello; Donadio, Davide; Bulo, Rosa E.

Effect of Temperature on the Adsorption of Short Alkanes in the Zeolite SSZ-13-Adapting Adsorption Isotherms to Microporous Materials

ACS CATALYSIS

IF13.1

2014-06-19

PREAI

Jiang, Tao; Goeltl, Florian; Bulo, Rosa E.; Sautet, Philippe

Multiscale Modeling of Chemistry in Water: Are We There Yet?

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2013-11-06

PREAI

Bulo, Rosa E.; Michel, Carine; Fleurat-Lessard, Paul; Sautet, Philippe

Energy extrapolation schemes for adaptive multi-scale molecular dynamics simulations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2012-08-17

PREAI

Fleurat-Lessard, Paul; Michel, Carine; Bulo, Rosa E.

Software News and Updates PyADF - A Scripting Framework for Multiscale Quantum Chemistry

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2011-05-03

OAAI

Jacob, Christoph R.; Beyhan, S. Maya; Bulo, Rosa E.; Gomes, Andre Severo Pereira; Goetz, Andreas W.; Kiewisch, Karin; Sikkema, Jetze; Visscher, Lucas

Toward a Practical Method for Adaptive QM/MM Simulations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2009-07-30

139

PREAI

Bulo, Rosa E.; Ensing, Bernd; Sikkema, Jetze; Visscher, Lucas

Site binding of Ca2+ ions to polyacrylates in water:: A molecular dynamics study of coiling and aggregation 水中Ca2离子与聚丙烯酸酯的位点结合:: 卷绕和聚集的分子动力学研究

MACROMOLECULES

IF5.2

2007-04-07

PREAI

Bulo, Rosa E.; Donadio, Davide; Laio, Alessandro; Molnar, Ferenc; Rieger, Jens; Parrinello, Michele

Modeling of bovine Type-I collagen fibrils: Interaction with pickling and retanning agents

MACROMOLECULAR BIOSCIENCE

IF4.1

2007-02-13

PREAI

Bulo, Rosa E.; Siggel, Lorenz; Molnar, Ferenc; Weiss, Horst

Circumambulatory rearrangement with characteristics of a 2:1 covalent molecular bevel gear

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2006-08-24

OAAI

Bulo, Rosa E.; Allaart, Florian; Ehlers, Andreas W.; de Kanter, Franciscus J. J.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop

3H-benzophosphepine complexes:: Versatile phosphinidene precursors

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2005-11-10

PREAI

Borst, MLG; Bulo, RE; Gibney, DJ; Alem, Y; de Kanter, FJJ; Ehlers, AW; Schakel, M; Lutz, M; Spek, AL; Lammertsma, K

Phosphepines: Convenient access to phosphinidene complexes

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2005-03-31

OAAI

Borst, MLG; Bulo, RE; Winkel, CW; Gibney, DJ; Ehlers, AW; Schakel, M; Lutz, M; Spek, AL; Lammertsma, K

C-C bond insertion of a complexed phosphinidene into 1,6-methano[10]annulene

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2004-10-20

PREAI

Bulo, RE; Trion, L; Ehlers, AW; de Kanter, FJJ; Schakel, M; Lutz, M; Spek, AL; Lammertsma, K

Reaction of a terminal phosphinidene complex with azulenes: η1-complexes, C-H bond insertions, and 1,4-adducts

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2004-06-04

PREAI

Bulo, RE; Ehlers, AW; de Kanter, FJJ; Schakel, M; Lutz, M; Spek, AL; Lammertsma, K; Wang, B

The circumambulation of a phosphirane: Taking 9-phenyl-9-phosphabicyclo[6.1.0]nona-2,4,6-triene for a walk

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2004-01-27

OAAI

Bulo, RE; Jansen, H; Ehlers, AW; de Kanter, FJJ; Schakel, M; Lutz, M; Spek, AL; Lammertsma, K

研究方向