Bickelhaupt , F. Matthias: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Orbital Overlap and Chemical Bonding

Andreas Krapp, F. Matthias Bickelhaupt, Gernot Frenking

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 611 KB

english, 2006

2

N-Heterocyclic Silylenes as Ligands in Transition Metal Carbonyl Chemistry: Nature of their Bonding and Supposed Innocence

Radius, Udo, Nitsch, JÃ¶rn, KrahfuÃ, Mirjam J., Bickelhaupt, Friedrich Matthias, Marder, Todd B

Journal:

Chemistry - A European Journal

Year:

2020

Language:

english

File:

PDF, 2.93 MB

english, 2020

3

Hypervalent Carbon Atom: “Freezing” the SN2 Transition State

Simon C. A. H. Pierrefixe, Sebastiaan J. M. van Stralen, Joost N. P. van Stralen, Célia Fonseca Guerra, F. Matthias Bickelhaupt

Journal:

Angewandte Chemie

Year:

2009

Language:

english

File:

PDF, 293 KB

english, 2009

4

The Case for Steric Repulsion Causing the Staggered Conformation of Ethane

F. Matthias Bickelhaupt, Evert Jan Baerends

Journal:

Angewandte Chemie International Edition

Year:

2003

Language:

english

File:

PDF, 130 KB

english, 2003

5

Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis

Célia Fonseca Guerra, Jan-Willem Handgraaf, Evert Jan Baerends, F. Matthias Bickelhaupt

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 268 KB

english, 2004

6

Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation

Marcel Swart, Ernst Rösler, F. Matthias Bickelhaupt

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 233 KB

english, 2006

7

Structure and bonding of methyl alkali metal molecules

F. Matthias Bickelhaupt, Miquel Solà, Célia Fonseca Guerra

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 151 KB

english, 2006

8

The Nature of the Transition Metal−Carbonyl Bond and the Question about the Valence Orbitals of Transition Metals. A Bond-Energy Decomposition Analysis of TM(CO) 6q (TM q = Hf 2- , Ta - , W, Re + , Os 2+ , Ir 3+ ) †

Diefenbach, Axel, Bickelhaupt, F. Matthias, Frenking, Gernot

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 134 KB

english, 2000

9

Polycyclic Benzenoids: Why Kinked is More Stable than Straight

Poater, Jordi, Visser, Ruud, Solà, Miquel, Bickelhaupt, F. Matthias

Journal:

Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 319 KB

english, 2007

10

Aggregation and Cooperative Effects in the Aldol Reactions of Lithium Enolates

Larrañaga, Olatz, de Cózar, Abel, Bickelhaupt, F. Matthias, Zangi, Ronen, Cossío, Fernando P.

Journal:

Chemistry - A European Journal

Year:

2013

Language:

english

File:

PDF, 2.18 MB

english, 2013

11

The activation strain model and molecular orbital theory: understanding and designing chemical reactions

Fernández, Israel, Bickelhaupt, F. Matthias

Journal:

Chemical Society Reviews

Year:

2014

Language:

english

File:

PDF, 3.05 MB

english, 2014

12

Theoretical and Experimental Study of Charge Transfer through DNA: Impact of Mercury Mediated T-Hg-T Base Pair

Kratochvílová, Irena, Golan, Martin, Vala, Martin, Špérová, Miroslava, Weiter, Martin, Páv, Ondřej, Šebera, Jakub, Rosenberg, Ivan, Sychrovský, Vladimír, Tanaka, Yoshiyuki, Bickelhaupt, F. Matthias

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 1.38 MB

english, 2014

13

Deeper Insight into the Diels-Alder Reaction through the Activation Strain Model

Fernández, Israel, Bickelhaupt, F. Matthias

Journal:

Chemistry – An Asian Journal

Year:

2016

Language:

english

File:

PDF, 1.49 MB

english, 2016

14

Deeper Insight into the Diels-Alder Reaction through the Activation Strain Model

Fernández, Israel, Bickelhaupt, F. Matthias

Journal:

Chemistry – An Asian Journal

Year:

2016

File:

PDF, 1.31 MB

2016

15

Distortion/Interaction-Activation Strain Model to Analyze Reaction Rates

Bickelhaupt, F. Matthias, Houk, Kendall Newcomb

Journal:

Angewandte Chemie International Edition

Year:

2017

Language:

english

File:

PDF, 5.05 MB

english, 2017

16

Analyzing Reaction Rates with the Distortion/Interaction-Activation Strain Model

Bickelhaupt, F. Matthias, Houk, Kendall N.

Journal:

Angewandte Chemie International Edition

Year:

2017

File:

PDF, 1.33 MB

2017

17

Double CH Activation of a Masked Cationic Bismuth Amide

Ritschel, Benedikt, Poater, Jordi, Dengel, Hannah, Bickelhaupt, Matthias, Lichtenberg, Crispin

Journal:

Angewandte Chemie International Edition

Year:

2018

Language:

english

File:

PDF, 1.18 MB

english, 2018

18

Alkali Metal Cation Affinities of Neutral Maingroup-Element Hydrides Across the Periodic Table

Boughlala, Zakaria, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 1.20 MB

english, 2019

19

Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design.

Margiotta, Enrico, van der Lubbe, Stephanie C. C., de Azevedo Santos, Lucas, Paragi, Gabor, Moro, Stefano, Bickelhaupt, F. Matthias, Fonseca Guerra, CÃ©lia

Journal:

Journal of Chemical Information and Modeling

Year:

2020

Language:

english

File:

PDF, 10.33 MB

english, 2020

20

Understanding reactivity with Kohn-Sham molecular orbital theory: E2-SN2 mechanistic spectrum and other concepts

Bickelhaupt, F. Matthias

Journal:

Journal of Computational Chemistry

Year:

1999

Language:

english

File:

PDF, 347 KB

english, 1999

21

Kristallstruktur und Bindungsverhältnisse von [W(O-t-Bu)4(THF)]

F. Matthias Bickelhaupt, Bernhard Neumüller, Michael Plate, Kurt Dehnicke

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

1998

File:

PDF, 129 KB

1998

22

Koordinationseigenschaften der isolobalen Phosphaniminatound Cyclopentadienyl-Liganden in TiCl3(NPH3), TiCl3Cp, ReO3(NPH3) und ReO3Cp

Axel Diefenbach, F. Matthias Bickelhaupt

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

1999

File:

PDF, 202 KB

1999

23

Ladungstransfer und molekulare Umgebung sind verantwortlich für Eigenschaften von Wasserstoffbrücken in DNA-Basenpaaren

Célia Fonseca Guerra, F. Matthias Bickelhaupt

Journal:

Angewandte Chemie

Year:

1999

Language:

german

File:

PDF, 113 KB

german, 1999

24

Alternatives to the CO Ligand: Coordination of the Isolobal Analogues BF, BNH2, BN(CH3)2, and BO− in Mono- and Binuclear First-Row Transition Metal Complexes

Andreas W. Ehlers, Evert Jan Baerends, F. Matthias Bickelhaupt, Udo Radius

Journal:

Chemistry - A European Journal

Year:

1998

Language:

english

File:

PDF, 209 KB

english, 1998

25

1,4-Diphosphabutadiyne: A Realistic Target for Synthesis? A Theoretical Investigation of C2P2, C2N2, [Cr(CO)5PCCP], and [(CO)5Cr(PCCP)Cr(CO)5]

F. Matthias Bickelhaupt, Friedrich Bickelhaupt

Journal:

Chemistry - A European Journal

Year:

1999

Language:

english

File:

PDF, 333 KB

english, 1999

26

The Nature of the Hydrogen Bond in DNA Base Pairs: The Role of Charge Transfer and Resonance Assistance

Célia Fonseca Guerra, F. Matthias Bickelhaupt, Jaap G. Snijders, Evert Jan Baerends

Journal:

Chemistry - A European Journal

Year:

1999

Language:

english

File:

PDF, 355 KB

english, 1999

27

Charge Transfer and Environment Effects Responsible for Characteristics of DNA Base Pairing

Célia Fonseca Guerra, F. Matthias Bickelhaupt

Journal:

Angewandte Chemie International Edition

Year:

1999

Language:

english

File:

PDF, 143 KB

english, 1999

28

(Ph4P)S6 – eine Verbindung mit dem cyclischen Radikalanion S6.−

Bernhard Neumüller, Fritjof Schmock, Reinhard Kirmse, Andreas Voigt, Axel Diefenbach, F. Matthias Bickelhaupt, Kurt Dehnicke

Journal:

Angewandte Chemie

Year:

2000

Language:

german

File:

PDF, 104 KB

german, 2000

29

Buchbesprechung: Computational Chemistry. A Practical Guide for Applying Techniques to Real World Problems. Von David Young

F. Matthias Bickelhaupt

Journal:

Angewandte Chemie

Year:

2002

Language:

german

File:

PDF, 404 KB

german, 2002

30

Orbitalwechselwirkungen in starken und schwachen Wasserstoffbrücken sind essentiell für die DNA-Replikation

Célia Fonseca Guerra, F. Matthias Bickelhaupt

Journal:

Angewandte Chemie

Year:

2002

File:

PDF, 119 KB

2002

31

(Ph4P)S6—A Compound Containing the Cyclic Radical Anion S6.−

Bernhard Neumüller, Fritjof Schmock, Reinhard Kirmse, Andreas Voigt, Axel Diefenbach, F. Matthias Bickelhaupt, Kurt Dehnicke

Journal:

Angewandte Chemie International Edition

Year:

2000

Language:

english

File:

PDF, 104 KB

english, 2000

32

Book Review: Computational Chemistry. A Practical Guide for Applying Techniques to Real World Problems. By David Young

F. Matthias Bickelhaupt

Journal:

Angewandte Chemie International Edition

Year:

2002

Language:

english

File:

PDF, 39 KB

english, 2002

33

Orbital Interactions in Strong and Weak Hydrogen Bonds are Essential for DNA Replication

Célia Fonseca Guerra, F. Matthias Bickelhaupt

Journal:

Angewandte Chemie International Edition

Year:

2002

Language:

english

File:

PDF, 119 KB

english, 2002

34

The Case for Steric Repulsion Causing the Staggered Conformation of Ethane

F. Matthias Bickelhaupt, Evert Jan Baerends

Journal:

Angewandte Chemie

Year:

2003

Language:

english

File:

PDF, 130 KB

english, 2003

35

Buchbesprechung: Essentials of Computational Chemistry Theories and Models. Von Christopher J. Cramer

F. Matthias Bickelhaupt

Journal:

Angewandte Chemie

Year:

2003

Language:

german

File:

PDF, 125 KB

german, 2003

36

α-Stabilisierung von Carbanionen: Fluor übertrifft die schwereren Halogene

F. Matthias Bickelhaupt, Holger L. Hermann, Gernot Boche

Journal:

Angewandte Chemie

Year:

2006

Language:

german

File:

PDF, 177 KB

german, 2006

37

Attraktiv und überzeugend

F. Matthias Bickelhaupt

Journal:

Angewandte Chemie

Year:

2008

Language:

german

File:

PDF, 152 KB

german, 2008

38

A Ditopic Ion-Pair Receptor Based on Stacked Nucleobase Quartets

Tushar van der Wijst, Célia Fonseca Guerra, Marcel Swart, F. Matthias Bickelhaupt, Bernhard Lippert

Journal:

Angewandte Chemie

Year:

2009

Language:

english

File:

PDF, 408 KB

english, 2009

39

Book Review: Essentials of Computational Chemistry Theories and Models. By Christopher J. Cramer

F. Matthias Bickelhaupt

Journal:

Angewandte Chemie International Edition

Year:

2003

Language:

english

File:

PDF, 115 KB

english, 2003

40

α-Stabilization of Carbanions: Fluorine Is More Effective than the Heavier Halogens

F. Matthias Bickelhaupt, Holger L. Hermann, Gernot Boche

Journal:

Angewandte Chemie International Edition

Year:

2006

Language:

english

File:

PDF, 179 KB

english, 2006

41

Attractive and Convincing

F. Matthias Bickelhaupt

Journal:

Angewandte Chemie International Edition

Year:

2008

Language:

english

File:

PDF, 154 KB

english, 2008

42

A Ditopic Ion-Pair Receptor Based on Stacked Nucleobase Quartets

Tushar van der Wijst, Célia Fonseca Guerra, Marcel Swart, F. Matthias Bickelhaupt, Bernhard Lippert

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 408 KB

english, 2009

43

Hypervalent Carbon Atom: “Freezing” the SN2 Transition State

Simon C. A. H. Pierrefixe, Sebastiaan J. M. van Stralen, Joost N. P. van Stralen, Célia Fonseca Guerra, F. Matthias Bickelhaupt

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 293 KB

english, 2009

44

The Effect of Microsolvation on E2 and SN2 Reactions: Theoretical Study of the Model System F− + C2H5F + nHF

Dr. F. Matthias Bickelhaupt, Prof. Dr. Evert Jan Baerends, Prof. Dr. Nico M. M. Anibbering

Journal:

Chemistry - A European Journal

Year:

1996

Language:

english

File:

PDF, 1.29 MB

english, 1996

45

Hydrogen–Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms-In-Molecules Theory, Does Not Exist

Jordi Poater, Miquel Solà, F. Matthias Bickelhaupt

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 146 KB

english, 2006

46

Supramolecular Switches Based on the Guanine–Cytosine (GC) Watson–Crick Pair: Effect of Neutral and Ionic Substituents

Célia Fonseca Guerra, Tushar van der Wijst, F. Matthias Bickelhaupt

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 361 KB

english, 2006

47

A Model of the Chemical Bond Must Be Rooted in Quantum Mechanics, Provide Insight, and Possess Predictive Power

Jordi Poater, Miquel Solà, F. Matthias Bickelhaupt

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 116 KB

english, 2006

48

Aromaticity: Molecular-Orbital Picture of an Intuitive Concept

Simon C. A. H. Pierrefixe, F. Matthias Bickelhaupt

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 606 KB

english, 2007

49

Hypervalent Silicon versus Carbon: Ball-in-a-Box Model

Simon C. A. H. Pierrefixe, Célia Fonseca Guerra, F. Matthias Bickelhaupt

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 551 KB

english, 2008

50

Cover Picture: Aromaticity: Molecular-Orbital Picture of an Intuitive Concept (Chem. Eur. J. 22/2007)

Simon C. A. H. Pierrefixe, F. Matthias Bickelhaupt

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 305 KB

english, 2007