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1

Bond Orbitals from Chemical Valence Theory

Michalak, Artur, Mitoraj, Mariusz, Ziegler, Tom

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 379 KB

english, 2008

2

Efficacy of single and repeated administration of ketamine in unipolar and bipolar depression: a meta-analysis of randomized clinical trials

Kryst, Joanna, Kawalec, PaweÅ, Mitoraj, Alicja Mikrut, Pilc, Andrzej, LasoÅ, WÅadysÅaw, Brzostek, Tomasz

Journal:

Pharmacological Reports

Year:

2020

File:

PDF, 3.20 MB

2020

3

The Nature of Nitrogen-Modified Titanium Dioxide Photocatalysts Active in Visible Light

Dariusz Mitoraj, Horst Kisch

Journal:

Angewandte Chemie International Edition

Year:

2008

Language:

english

File:

PDF, 309 KB

english, 2008

4

Natural orbitals for chemical valence as descriptors of chemical bonding in transition metal complexes

Mariusz Mitoraj, Artur Michalak

Journal:

Journal of Molecular Modeling

Year:

2007

Language:

english

File:

PDF, 572 KB

english, 2007

5

Applications of natural orbitals for chemical valence in a description of bonding in conjugated molecules

Mariusz Mitoraj, Artur Michalak

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 294 KB

english, 2008

6

Theoretical Analysis of the Resonance Assisted Hydrogen Bond Based on the Combined Extended Transition State Method and Natural Orbitals for Chemical Valence Scheme†

Kurczab, Rafał, Mitoraj, Mariusz P., Michalak, Artur, Ziegler, Tom

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.85 MB

english, 2010

7

A Combined Charge and Energy Decomposition Scheme for Bond Analysis

Mitoraj, Mariusz P., Michalak, Artur, Ziegler, Tom

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 2.39 MB

english, 2009

8

σ-Donor and π-Acceptor Properties of Phosphorus Ligands: An Insight from the Natural Orbitals for Chemical Valence

Mitoraj, Mariusz P., Michalak, Artur

Journal:

Inorganic Chemistry

Year:

2010

Language:

english

File:

PDF, 1.39 MB

english, 2010

9

A coumarin-based “turn-on” fluorescent sensor for the determination of Al3+: single crystal X-ray structure and cell staining properties

Guha, Subarna, Lohar, Sisir, Sahana, Animesh, Banerjee, Arnab, Safin, Damir A., Babashkina, Maria G., Mitoraj, Mariusz P., Bolte, Michael, Garcia, Yann, Mukhopadhyay, Subhra Kanti, Das, Debasis

Journal:

Dalton Transactions

Year:

2013

Language:

english

File:

PDF, 3.94 MB

english, 2013

10

"Deliverance": The Anatomy of a Challenge

Suzanne O. Mitoraj

Journal:

The English Journal

Year:

2000

Language:

english

File:

PDF, 384 KB

english, 2000

11

Quasi-aromatic Möbius Metal Chelates

Mahmoudi, Ghodrat, Afkhami, Farhad A., Castiñeiras, Alfonso, García-Santos, Isabel, Gurbanov, Atash, Zubkov, Fedor I., Mitoraj, Mariusz P., Kukułka, Mercedes, Sagan, Filip, Szczepanik, Dariusz W., Kon

Journal:

Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 7.25 MB

english, 2018

12

Ultrasmall CoO(OH) x Nanoparticles As a Highly Efficient “True” Cocatalyst in Porous Photoanodes for Water Splitting

Wang, Lidong, Mitoraj, Dariusz, Turner, Stuart, Khavryuchenko, Oleksiy V., Jacob, Timo, Hocking, Rosalie K., Beranek, Radim

Journal:

Year:

2017

Language:

english

File:

PDF, 5.51 MB

english, 2017

13

The Development of Electromobility in Poland and EU States as a Tool for Management of CO2 Emissions

Tucki, Karol, Orynycz, Olga, Świć, Antoni, Mitoraj-Wojtanek, Mateusz

Journal:

Year:

2019

Language:

english

File:

PDF, 2.11 MB

english, 2019

14

Zur Natur von Stickstoff-modifiziertem Titandioxid für die Photokatalyse mit sichtbarem Licht

Dariusz Mitoraj, Horst Kisch

Journal:

Angewandte Chemie

Year:

2008

Language:

german

File:

PDF, 300 KB

german, 2008

15

On the Mechanism of Urea-Induced Titania Modification

Dariusz Mitoraj, Horst Kisch

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 333 KB

english, 2010

16

Sterically Less-Hindered Half-Titanocene(IV) Phenoxides: Ancillary-Ligand Effect on Mono-, Bis-, and Tris(2-Alkyl-/arylphenoxy) Titanium(IV) Chloride Complexes

Tae-Jin Kim, Sung-Kwan Kim, Beom-Jun Kim, Ho-Jin Son, Jong Sok Hahn, Minserk Cheong, Mariusz Mitoraj, Monika Srebro, Łukasz Piękoś, Artur Michalak, Sang Ook Kang

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 595 KB

english, 2010

17

ChemInform Abstract: Palladium Catalysts for Dehydrogenation of Ammonia Borane with Preferential B—H Activation.

Sung-Kwan Kim, Won-Sik Han, Tae-Jin Kim, Tae-Young Kim, Suk Woo Nam, Mariusz Mitoraj, Lukasz Piekos, Artur Michalak, Son-Jong Hwang, Sang Ook Kang

Journal:

Year:

2010

File:

PDF, 17 KB

2010

18

Dielectric properties of trans-1,4 polybutadiene

M. Pegoraro, K. Mitoraj

Journal:

Macromolecular Chemistry and Physics

Year:

1963

Language:

english

File:

PDF, 284 KB

english, 1963

19

Formaldehyde activation by Cu(I) and Ag(I) sites in ZSM-5: ETS-NOCV analysis of charge transfer processes

E. Broclawik, J. Załucka, P. Kozyra, M. Mitoraj, J. Datka

Journal:

Catalysis Today

Year:

2011

Language:

english

File:

PDF, 597 KB

english, 2011

20

On the origin of the trans-influence in square planar d8-complexes: A theoretical study

Mariusz P. Mitoraj, Hongjuan Zhu, Artur Michalak, Tom Ziegler

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 337 KB

english, 2009

21

DFT studies on isomerization reactions in the copolymerization of ethylene and methyl acrylate catalyzed by Ni-diimine and Pd-diimine complexes

Mariusz Mitoraj, Artur Michalak

Journal:

Journal of Molecular Modeling

Year:

2005

Language:

english

File:

PDF, 496 KB

english, 2005

22

Theoretical description of bonding incis-W(CO)4(piperidine)2and its dimer

Mariusz P. Mitoraj, Artur Michalak

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 206 KB

english, 2010

23

Theoretical description of hydrogen bonding in oxalic acid dimer and trimer based on the combined extended-transition-state energy decomposition analysis and natural orbitals for chemical valence (ETS-NOCV)

Mariusz P. Mitoraj, Rafał Kurczab, Marek Boczar, Artur Michalak

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 337 KB

english, 2010

24

Applications of the ETS-NOCV method in descriptions of chemical reactions

Mariusz Paweł Mitoraj, Monika Parafiniuk, Monika Srebro, Michał Handzlik, Agnieszka Buczek, Artur Michalak

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 732 KB

english, 2011

25

From Electron Density Flow Towards Activation: Benzene Interacting with Cu(I) and Ag(I) Sites in ZSM-5. DFT Modeling

P. Kozyra, J. Załucka, M. Mitoraj, E. Brocławik, J. Datka

Journal:

Catalysis Letters

Year:

2008

Language:

english

File:

PDF, 333 KB

english, 2008

26

Dynamics ofVulmar/VulMITEgroup of transposable elements inChenopodiaceaesubfamilyBetoideae

Dariusz Grzebelus, Krzysztof Stawujak, Justyna Mitoraj, Marek Szklarczyk

Journal:

Year:

2011

Language:

english

File:

PDF, 367 KB

english, 2011

27

Reactivity of a Ti–45.9Al–8Nb alloy in air at 700–900°C

Elżbieta Godlewska, M. Mitoraj, F. Devred, B. E. Nieuwenhuys

Journal:

Journal of Thermal Analysis and Calorimetry

Year:

2007

Language:

english

File:

PDF, 1.45 MB

english, 2007

28

Degradation of CoSb3in Air at Elevated Temperatures

E. Godlewska, K. Zawadzka, A. Adamczyk, M. Mitoraj, K. Mars

Journal:

Oxidation of Metals

Year:

2010

Language:

english

File:

PDF, 568 KB

english, 2010

29

QTAIM and ETS-NOCV Analyses of Intramolecular CH···HC Interactions in Metal Complexes

Cukrowski, Ignacy, Govender, Krishna K., Mitoraj, Mariusz P., Srebro, Monika

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.53 MB

english, 2011

30

Visible light inactivation of bacteria and fungi by modified titanium dioxide

Mitoraj, Dariusz, Ja?czyk, Agnieszka, Strus, Magdalena, Kisch, Horst, Stochel, Gra?yna, Heczko, Piotr B., Macyk, Wojciech

Journal:

Photochemical & Photobiological Sciences

Year:

2007

Language:

english

File:

PDF, 197 KB

english, 2007

31

Binding of polar monomers in the complexes with organometallic ethylene polymerization catalysts — Natural orbitals for chemical valence and energy decomposition analysis1

Srebro, Monika, Mitoraj, Mariusz, Michalak, Artur

Journal:

Canadian Journal of Chemistry

Year:

2009

Language:

english

File:

PDF, 2.75 MB

english, 2009

32

Theoretical description of dihydrogen/hydride and trihydride molybdocene complexes: An insight from static and molecular dynamics simulations

Łukasz Piękoś, Mariusz Paweł Mitoraj

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1.76 MB

english, 2012

33

Scale composition and oxidation mechanism of the Ti–46Al–8Nb alloy in air at 700 and 800 °C

M. Mitoraj, E. Godlewska, O. Heintz, N. Geoffroy, S. Fontana, S. Chevalier

Journal:

Year:

2011

Language:

english

File:

PDF, 1.64 MB

english, 2011

34

Oxidation of Ti–46Al–8Ta in air at 700 °C and 800 °C under thermal cycling conditions

M. Mitoraj, E.M. Godlewska

Journal:

Year:

2013

Language:

english

File:

PDF, 1.84 MB

english, 2013

35

Crucial Influence of the Intramolecular Hydrogen Bond on the Coordination Mode of RC(S)NHP(S)(O i Pr) 2 in Homoleptic Complexes with Ni II

Babashkina, Maria G., Safin, Damir A., Srebro, Monika, Kubisiak, Piotr, Mitoraj, Mariusz P., Bolte, Michael, Garcia, Yann

Journal:

European Journal of Inorganic Chemistry

Year:

2013

Language:

english

File:

PDF, 1.58 MB

english, 2013

36

C═C, C≡C, and C═O Bond Activation by Coinage Metal Cations in ZSM-5 Zeolites: Quantitative Charge Transfer Resolution

Kozyra, Paweł, Broclawik, Ewa, Mitoraj, Mariusz Paweł, Datka, Jerzy

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.83 MB

english, 2013

37

Complexation properties of N-thiophosphorylated thiourea 2-PyNHC(S)NHP(S)(OiPr)2 towards NiII

Safin, Damir A., Babashkina, Maria G., Kubisiak, Piotr, Mitoraj, Mariusz P., Robeyns, Koen, Goovaerts, Etienne, Garcia, Yann

Journal:

Dalton Transactions

Year:

2013

Language:

english

File:

PDF, 614 KB

english, 2013

38

Multiple Boron−Boron Bonds in Neutral Molecules: An Insight from the Extended Transition State Method and the Natural Orbitals for Chemical Valence Scheme

Mitoraj, Mariusz P., Michalak, Artur

Journal:

Inorganic Chemistry

Year:

2011

Language:

english

File:

PDF, 887 KB

english, 2011

39

Theoretical description of halogen bonding – an insight based on the natural orbitals for chemical valence combined with the extended-transition-state method (ETS-NOCV)

Mitoraj, Mariusz P., Michalak, Artur

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 547 KB

english, 2013

40

A Low-Band Gap, Nitrogen-Modified Titania Visible-Light Photocatalyst

Kisch, H., Sakthivel, S., Janczarek, M., Mitoraj, D.

Journal:

The Journal of Physical Chemistry C

Year:

2007

Language:

english

File:

PDF, 202 KB

english, 2007

41

On the Nature of the Agostic Bond between Metal Centers and β-Hydrogen Atoms in Alkyl Complexes. An Analysis Based on the Extended Transition State Method and the Natural Orbitals for Chemical Valence Scheme (ETS-NOCV)

Mitoraj, Mariusz P., Michalak, Artur, Ziegler, Tom

Journal:

Organometallics

Year:

2009

Language:

english

File:

PDF, 2.77 MB

english, 2009

42

Origin of Binding of Ammonia–Borane to Transition-Metal-Based Catalysts: An Insight from the Charge and Energy Decomposition Method ETS-NOCV

Parafiniuk, Monika, Mitoraj, Mariusz Paweł

Journal:

Organometallics

Year:

2013

Language:

english

File:

PDF, 1.84 MB

english, 2013

43

Donor–Acceptor Properties of Ligands from the Natural Orbitals for Chemical Valence

Mitoraj, Mariusz, Michalak, Artur

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 1.03 MB

english, 2007

44

Palladium Catalysts for Dehydrogenation of Ammonia Borane with Preferential B−H Activation

Kim, Sung-Kwan, Han, Won-Sik, Kim, Tae-Jin, Kim, Tae-Young, Nam, Suk Woo, Mitoraj, Mariusz, Piekoś, Łukasz, Michalak, Artur, Hwang, Son-Jong, Kang, Sang Ook

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 381 KB

english, 2010

45

Switching CdSe quantum dot luminescence with a-Si:H

Di Vece, M, van Duren, S N F, van den Heuvel, D J, Mitoraj, D, Kuang, Y, Gerritsen, H C, Schropp, R E I

Journal:

Year:

2013

Language:

english

File:

PDF, 423 KB

english, 2013

46

On the asymmetry in molybdenum–oxygen bonding in the MoO3structure: ETS–NOCV analysis

Mariusz P. Mitoraj, Artur Michalak

Journal:

Structural Chemistry

Year:

2012

Language:

english

File:

PDF, 498 KB

english, 2012

47

ETS-NOCV description of σ-hole bonding

Karol Dyduch, Mariusz P. Mitoraj, Artur Michalak

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 716 KB

english, 2013

48

Two-Photon Photoemission Study of Competing Auger and Surface-Mediated Relaxation of Hot Electrons in CdSe Quantum Dot Solids

Sippel, Philipp, Albrecht, Wiebke, Mitoraj, Dariusz, Eichberger, Rainer, Hannappel, Thomas, Vanmaekelbergh, Daniel

Journal:

Year:

2013

Language:

english

File:

PDF, 1.57 MB

english, 2013

49

Bonding in Ammonia Borane: An Analysis Based on the Natural Orbitals for Chemical Valence and the Extended Transition State Method (ETS-NOCV)

Mitoraj, Mariusz Paweł

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.77 MB

english, 2011

50

Hot corrosion of Ti–46Al–8Ta (at.%) intermetallic alloy

Godlewska, E., Mitoraj, M., Leszczynska, K.

Journal:

Corrosion Science

Year:

2014

Language:

english

File:

PDF, 3.56 MB

english, 2014

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