Jaroslaw Handzlik: search on Z-Library

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1

Structure of Isolated Molybdenum(VI) and Molybdenum(IV) Oxide Species on Silica: Periodic and Cluster DFT Studies

Handzlik, Jarosław, Ogonowski, Jan

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 6.98 MB

english, 2012

2

Polymerization of hydroxyacetylenes by ruthenium alkylidene complexes

Izabela Czeluśniak, Jarosław Handzlik

Journal:

Journal of Organometallic Chemistry

Year:

2009

Language:

english

File:

PDF, 457 KB

english, 2009

3

Theoretical study on ethene metathesis proceeding on MoVI and MoIV methylidene centres of heterogeneous molybdena-alumina catalyst

Jarosław Handzlik, Jan Ogonowski

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2001

Language:

english

File:

PDF, 312 KB

english, 2001

4

Active sites of olefin metathesis on molybdena-alumina system: A periodic DFT study

Jarosław Handzlik, Philippe Sautet

Journal:

Journal of Catalysis

Year:

2008

Language:

english

File:

PDF, 1.95 MB

english, 2008

5

Structure of Dimeric Molybdenum(VI) Oxide Species on γ-Alumina: A Periodic Density Functional Theory Study

Handzlik, Jarosław, Sautet, Philippe

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.62 MB

english, 2010

6

Paired interacting orbitals (PIO) study of molybdena-alumina system active in alkene metathesis

Jarosław Handzlik, Akinobu Shiga, Joanna Kondziołka

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2008

Language:

english

File:

PDF, 586 KB

english, 2008

7

Simple and Efficient Way of Molybdenum Oxide-Based Catalyst Activation for Olefins Metathesis by Methane Pretreatment

Michorczyk, Piotr, Węgrzyniak, Adam, Węgrzynowicz, Adam, Handzlik, Jarosław

Journal:

Year:

2019

Language:

english

File:

PDF, 3.00 MB

english, 2019

8

Photochemical Reaction of Mo(CO) 6 with Et 2 GeH 2 : NMR and DFT Studies of Reaction Products; Crystal Structure of a Novel Complex [{Mo(μ-η 2 -H−GeEt 2 )(CO) 4 } 2 ]

Zyder, Magdalena, Kochel, Andrzej, Handzlik, Jarosław, Szymańska-Buzar, Teresa

Journal:

Organometallics

Year:

2009

Language:

english

File:

PDF, 2.71 MB

english, 2009

9

Computational study of the properties and metathesis activity of Mo methylidene species in HZSM-5 zeolite

Jarosław Handzlik

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2010

Language:

english

File:

PDF, 687 KB

english, 2010

10

Dependence of reactivity on pretreatment in molybdena–alumina catalysts for propene metathesis

Jarosław Handzlik, Jerzy Stoch, Jan Ogonowski, Maciej Mikołajczyk

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2000

Language:

english

File:

PDF, 119 KB

english, 2000

11

Application of the ONIOM (QM/QM) method in the study of molybdena–silica system active in olefin metathesis

Jarosław Handzlik

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 206 KB

english, 2007

12

H–Ge bond activation by tungsten carbonyls: An experimental and theoretical study

Jarosław Handzlik, Andrzej Kochel, Teresa Szymańska-Buzar

Journal:

Year:

2012

Language:

english

File:

PDF, 1004 KB

english, 2012

13

Catalytic transformation of phenylacetylene mediated by phosphine-free ruthenium alkylidene complexes

Czeluśniak, Izabela, Handzlik, Jarosław, Gierada, Maciej, Szymańska-Buzar, Teresa

Journal:

Journal of Organometallic Chemistry

Year:

2015

Language:

english

File:

PDF, 1.62 MB

english, 2015

14

Characterization of molybdenum monomeric oxide species supported on hydroxylated silica: a DFT study

Guesmi, Hazar, Gryboś, Robert, Handzlik, Jarosław, Tielens, Frederik

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.02 MB

english, 2014

15

Hydration in Silica Based Mesoporous Materials; A DFT Model

Gierada, Maciej, Peti, Ivan, Handzlik, Jaroslaw, Tielens, Frederik

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.05 MB

english, 2016

16

Comparison of metathesis activity of catalysts prepared by anchoring of MoO2(acac)2on various supports

Jaroslaw Handzlik, Jan Ogonowski, Jerzy Stoch, Maciej Mikolajczyk

Journal:

Catalysis Letters

Year:

2005

Language:

english

File:

PDF, 227 KB

english, 2005

17

Degenerate propene metathesis on Mo-alkylidene centres of molybdena–alumina catalyst—a DFT study

Jaroslaw Handzlik

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2004

Language:

english

File:

PDF, 467 KB

english, 2004

18

The formation of a σ-bond complex vs. an oxidation addition product in reaction of [M(CO)4(η4-nbd)] (M = W, Mo) and H–EEt3 (E = Si, Ge, Sn): DFT optimized structures and predicted chemical shifts of hydride ligands

Handzlik, Jarosław, Szymańska-Buzar, Teresa

Journal:

Journal of Organometallic Chemistry

Year:

2014

Language:

english

File:

PDF, 1.31 MB

english, 2014

19

Terminal-Alkyne-Induced Decomposition of a Phosphine-Free Ruthenium Alkylidene Catalyst

Gierada, Maciej, Czeluśniak, Izabela, Handzlik, Jarosław

Journal:

Year:

2017

Language:

english

File:

PDF, 3.75 MB

english, 2017

20

Active sites formation and their transformations during ethylene polymerization by the Phillips CrO x /SiO 2 catalyst

Gierada, Maciej, Handzlik, Jarosław

Journal:

Journal of Catalysis

Year:

2017

Language:

english

File:

PDF, 3.62 MB

english, 2017

21

On the structure, carbonyl-stretching frequencies and relative stability of trans- and cis-[W(CO)4(η2-alkene)2]0/+: a theoretical and IR spectroelectrochemical study

Handzlik, Jarosław, Hartl, Frantisek, Szymańska-Buzar, Teresa

Journal:

New Journal of Chemistry

Year:

2002

Language:

english

File:

PDF, 282 KB

english, 2002

22

Formation of active species from ruthenium alkylidene catalysts—an insight from computational perspective

Śliwa, Paweł, Mitoraj, Mariusz P., Sagan, Filip, Handzlik, Jarosław

Journal:

Journal of Molecular Modeling

Year:

2019

Language:

english

File:

PDF, 3.15 MB

english, 2019

23

DFT study of molybdena–silica system – A selection of density functionals based on their performance in thermochemistry of molybdenum compounds

Jarosław Handzlik

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 242 KB

english, 2009

24

Properties and metathesis activity of monomeric and dimeric Mo centres variously located on γ-alumina – A DFT study

Jarosław Handzlik

Journal:

Surface Science

Year:

2007

Language:

english

File:

PDF, 830 KB

english, 2007

25

Properties and metathesis activity of molybdena-alumina, molybdena-silica-alumina and molybdena-silica catalysts—a comparative study

Jarosław Handzlik, Jan Ogonowski, Jerzy Stoch, Maciej Mikołajczyk, Piotr Michorczyk

Journal:

Applied Catalysis A: General

Year:

2006

Language:

english

File:

PDF, 302 KB

english, 2006

26

Theoretical study of propene metathesis proceeding on monomeric Mo centers of molybdena–alumina catalysts

Jarosław Handzlik

Journal:

Journal of Catalysis

Year:

2003

Language:

english

File:

PDF, 580 KB

english, 2003

27

Structure of Monomeric Chromium(VI) Oxide Species Supported on Silica: Periodic and Cluster DFT Studies

Handzlik, Jarosław, Grybos, Robert, Tielens, Frederik

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.44 MB

english, 2013

28

Computational insights into reduction of the Phillips CrO x /SiO 2 catalyst by ethylene and CO

Gierada, Maciej, Handzlik, Jarosław

Journal:

Journal of Catalysis

Year:

2018

Language:

english

File:

PDF, 2.50 MB

english, 2018

29

Reduction of chromia–silica catalysts: A molecular picture

Gierada, Maciej, Michorczyk, Piotr, Tielens, Frederik, Handzlik, Jarosław

Journal:

Journal of Catalysis

Year:

2016

Language:

english

File:

PDF, 3.53 MB

english, 2016

30

ChemInform Abstract: Theoretical Investigations of Heterogeneous Olefin Metathesis Catalysts

Handzlik, Jaroslaw, Kurleto, Kamil

Journal:

Year:

2014

File:

PDF, 12 KB

2014

31

Characterization of tungsten monomeric oxide species supported on hydroxylated silica; a DFT study

Guesmi, Hazar, Grybos, Robert, Handzlik, Jarosław, Tielens, Frederik

Journal:

Year:

2016

Language:

english

File:

PDF, 442 KB

english, 2016

32

Characterization of Amorphous Silica Based Catalysts Using DFT Computational Methods

Tielens, Frederik, Gierada, Maciej, Handzlik, Jarosław, Calatayud, Monica

Journal:

Catalysis Today

Year:

2019

File:

PDF, 1.67 MB

2019

33

Regioselectivity of Stoichiometric Metathesis of Vinylsilanes with Second-Generation Grubbs Catalyst: A Combined DFT and Experimental Study

Śliwa, Paweł, Kurleto, Kamil, Handzlik, Jarosław, Rogalski, Szymon, Żak, Patrycja, Wyrzykiewicz, Bożena, Pietraszuk, Cezary

Journal:

Organometallics

Year:

2016

Language:

english

File:

PDF, 1.63 MB

english, 2016

34

Isolated Chromium(VI) Oxide Species Supported on Al-Modified Silica: A Molecular Description

Handzlik, Jarosław, Grybos, Robert, Tielens, Frederik

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 15.29 MB

english, 2016

35

Assessment of density functional methods for the study of olefin metathesis catalysed by ruthenium alkylidene complexes

Paweł Śliwa, Jarosław Handzlik

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 298 KB

english, 2010

36

Activity of Molybdena-Alumina Metathesis Catalysts Treated with Tetramethyltin

Jarosław Handzlik, Jan Ogonowski

Journal:

Catalysis Letters

Year:

2002

Language:

english

File:

PDF, 110 KB

english, 2002

37

Assessment of density functional methods for thermochemistry of chromium oxo compounds and their application in a study of chromia–silica system

Handzlik, Jarosław, Kurleto, Kamil

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 328 KB

english, 2013

38

Surface ReO x Sites on Al 2 O 3 and Their Molecular Structure–Reactivity Relationships for Olefin Metathesis

Lwin, Soe, Keturakis, Christopher, Handzlik, Jarosław, Sautet, Philippe, Li, Yuanyuan, Frenkel, Anatoly I., Wachs, Israel E.

Journal:

Year:

2015

Language:

english

File:

PDF, 2.70 MB

english, 2015

39

Anchored and impregnated molybdena-alumina metathesis catalysts—a comparative study

Jarosław Handzlik, Jan Ogonowski, Jerzy Stoch, Maciej Mikołajczyk

Journal:

Applied Catalysis A: General

Year:

2004

Language:

english

File:

PDF, 115 KB

english, 2004

40

Metathesis activity of monomeric Mo-methylidene centres on (1 0 0) and (1 1 0)C surfaces of γ-Al2O3––a comparative DFT study

Jarosław Handzlik

Journal:

Surface Science

Year:

2004

Language:

english

File:

PDF, 509 KB

english, 2004

41

Alkynol polymerization catalysed by Grubbs-type and Hoveyda–Grubbs ruthenium alkylidene complexes: A computational study

Śliwa, Paweł, Handzlik, Jarosław, Czeluśniak, Izabela

Journal:

Journal of Organometallic Chemistry

Year:

2014

Language:

english

File:

PDF, 1.07 MB

english, 2014

42

Dependence of metathesis activity of Mo-methylidene sites on their location on (1 0 0) γ-Al2O3—a theoretical study

Jarosław Handzlik, Jan Ogonowski, Renata Tokarz-Sobieraj

Journal:

Catalysis Today

Year:

2005

Language:

english

File:

PDF, 492 KB

english, 2005

43

A potential route to the formation of alkylidene ligand from two mutually cis alkene ligands: a DFT study

Jarosław Handzlik, Marcin Górski, Teresa Szymańska-Buzar

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 439 KB

english, 2005

44

DFT study of ethene metathesis proceeding on monomeric MoVI centres of MoO3/Al2O3 catalyst: The role of the molybdacyclobutane intermediate

Jarosław Handzlik, Jan Ogonowski

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2002

Language:

english

File:

PDF, 224 KB

english, 2002

45

Spectroscopic and Computational Study of Cr Oxide Structures and Their Anchoring Sites on ZSM-5 Zeolites

Gao, Jie, Zheng, Yiteng, Tang, Yadan, Jehng, Jih-Mirn, Grybos, Robert, Handzlik, Jaroslaw, Wachs, Israel E., Podkolzin, Simon G.

Journal:

Year:

2015

Language:

english

File:

PDF, 4.23 MB

english, 2015

46

Norbornadiene complexes of molybdenum(II) and their transformation to a catalyst for ring-opening metathesis polymerization: DFT calculations – X-ray crystal structure of a new norbornadiene complex [MoCl(GeCl3)(CO)3(η4-nbd)]

Jarosław Handzlik, Magdalena Stosur, Andrzej Kochel, Teresa Szymańska-Buzar

Journal:

Inorganica Chimica Acta

Year:

2008

Language:

english

File:

PDF, 698 KB

english, 2008

47

Dimerization and cyclotrimerization of terminal arylalkynes initiated by a phosphine-free ruthenium alkylidene complex

Gierada, Maciej, Czeluśniak, Izabela, Handzlik, Jarosław

Journal:

Molecular Catalysis

Year:

2019

File:

PDF, 1.65 MB

2019

48

Paired interacting orbitals (PIO) study of Mo/SiO2 and Mo/HZSM-5 catalysts for olefin metathesis

Jarosław Handzlik, Marcin Czernecki, Akinobu Shiga, Paweł Śliwa

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 948 KB

english, 2012

49

Structure of Isolated Molybdenum(VI) Oxide Species on γ-Alumina: A Periodic Density Functional Theory Study

Handzlik, Jarosław, Sautet, Philippe

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 835 KB

english, 2008

50

Operando Molecular Spectroscopy During Ethylene Polymerization by Supported CrOx/SiO2Catalysts: Active Sites, Reaction Intermediates, and Structure-Activity Relationship

Chakrabarti, Anisha, Gierada, Maciej, Handzlik, Jaroslaw, Wachs, Israel E.

Journal:

Topics in Catalysis

Year:

2016

Language:

english

File:

PDF, 2.07 MB

english, 2016

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