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1

Evaluation of the rate constant for the SN2 reaction fluoromethane + hydride .fwdarw. methane + fluoride in the gas phase

Merkel, Angela., Havlas, Zdenek., Zahradnik, Rudolf.

Journal:

Journal of the American Chemical Society

Year:

1988

Language:

english

File:

PDF, 661 KB

english, 1988

2

Ab initio quantum chemical study of the SN2 reaction, CH3F+H− → CH4+F−, in the gas phase

Zdeněk Havlas, Angela Merkel, Josef Kalcher, Rudolf Janoschek, Rudolf Zahradník

Journal:

Chemical Physics

Year:

1988

Language:

english

File:

PDF, 934 KB

english, 1988

3

An Experimental and Theoretical Study of Stereoselectivity of Furan−Maleic Anhydride and Furan−Maleimide Diels−Alder Reactions

Rulíšek, Lubomír, Šebek, Pavel, Havlas, Zdeněk, Hrabal, Richard, Čapek, Pavel, Svatoš, Aleš

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 307 KB

english, 2005

4

Spin–orbit coupling in biradicals. 5. Zero-field splitting in triplet dimethylnitrenium, dimethylphosphenium and dimethylarsenium cations

Havlas, Zdeněk, Kývala, Mojmĺr, Michl ¶ *, Josef

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 193 KB

english, 2005

5

Structural Changes on Twofold Oxidation of Tetrakis(dimethylamino)-p-benzoquinone: A Sterically Overcrowded Electron-Rich “Chair” Compound Turns into a “Twist” Dicyanine Salt

Prof. Dr. Hans Bock, Dipl.-Chem. Klaus Rupper, Dipl.-Chem. Christian Näther, Dr. Zdenek Havlas

Journal:

Angewandte Chemie International Edition

Year:

1991

Language:

english

File:

PDF, 510 KB

english, 1991

6

Does fluoroformic acid exist?

Havlas, Zdenek, Kovar, Tomas, Zahradnik, Rudolf

Journal:

Journal of the American Chemical Society

Year:

1985

Language:

english

File:

PDF, 484 KB

english, 1985

7

Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model

Zaykov, Alexandr, Felkel, Petr, Buchanan, Eric A., Jovanovic, Milena, Havenith, Remco W. A., Kathir, R K, Broer, Ria, Havlas, Zdeněk, Michl, Josef

Journal:

Journal of the American Chemical Society

Year:

2019

Language:

english

File:

PDF, 7.57 MB

english, 2019

8

Blue-Shifting Hydrogen Bonds

Hobza, Pavel, Havlas, Zdeněk

Journal:

Chemical Reviews

Year:

2000

Language:

english

File:

PDF, 155 KB

english, 2000

9

Theoretical studies of reaction mechanism in chemistry

Zdeněk Havlas, Rudolf Zahradník

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 795 KB

english, 1984

10

Single-Step Formation of Pyrimido[4,5- d ]pyridazines by a Pyrimidine-Tetrazine Tandem Reaction

Galeta, Juraj, Šála, Michal, Dračínský, Martin, Vrábel, Milan, Havlas, Zdeněk, Nencka, Radim

Journal:

Organic Letters

Year:

2016

Language:

english

File:

PDF, 863 KB

english, 2016

11

An MS-CASPT2 Calculation of the Excited Electronic States of an Axial Difluoroborondipyrromethene (BODIPY) Dimer

Wen, Jin, Han, Bowen, Havlas, Zdeněk, Michl, Josef

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 2.36 MB

english, 2018

12

Metal Cation−Methyl Interactions in CB 11 Me 12- Salts of Me 3 Ge + , Me 3 Sn + , and Me 3 Pb +

Zharov, Ilya, Weng, Tsu-Chien, Orendt, Anita M., Barich, Dewey H., Penner-Hahn, James, Grant, David M., Havlas, Zdenek, Michl, Josef

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 718 KB

english, 2004

13

Piano-stool complexes of the CpML4 type

Kubacek, Pavel, Hoffmann, Roald, Havlas, Zdenek

Journal:

Organometallics

Year:

1982

Language:

english

File:

PDF, 993 KB

english, 1982

14

Structural Distortions in Diiodine-Substituted Unsaturated Hydrocarbons

Hans Bock, Mark Sievert, Zdenek Havlas

Journal:

Chemistry - A European Journal

Year:

1998

Language:

english

File:

PDF, 317 KB

english, 1998

15

2,3,6,7-Tetramethoxythianthrene Dication: An “Aromatic” π System “Gives Up the Ghost”

Prof. Dr. Hans Bock, Dipl.-Chem. Andreas Rauschenbach, Dipl.-Chem. Klaus Ruppert, Dr. Zdenek Havlas

Journal:

Angewandte Chemie International Edition

Year:

1991

Language:

english

File:

PDF, 366 KB

english, 1991

16

Wechselwirkungen in Kristallen. 106. Mitteilung. Die Klaviatur der Na⊕-Koordinationszahlen in ihren Carbazolanion-Salzen

Hans Bock, Claudia Arad, Christian Nather, Zdenek Havlas

Journal:

Helvetica Chimica Acta

Year:

1997

File:

PDF, 851 KB

1997

17

Electronic Spectra of Conjugated Polyynes, Cumulenes and Related Systems: A Theoretical Study

Zahradník, Rudolf, Srnec, Martin, Havlas, Zdeněk

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2005

Language:

english

File:

PDF, 211 KB

english, 2005

18

Search for a Small Chromophore with Efficient Singlet Fission: Biradicaloid Heterocycles

Akdag, Akin, Havlas, Zdeněk, Michl, Josef

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 1.49 MB

english, 2012

19

EINKRISTALL-MOLEKÜLSTRUKTUREN 55 1,2 DITHIOLO-DITHIOL-DITHION C 4 S 6 UND DITHIOLO-DITHIOL-DION C 4 O 2 S 4

Bock, Hans, Näther, Christian, Rauschenbach, Andreas, Havlas, Zdenek, Bats, Jan W., Fanghänel, Egon, Palmer, Thomas

Journal:

Phosphorus Sulfur and Silicon and the Related Elements

Year:

1994

Language:

english

File:

PDF, 722 KB

english, 1994

20

The Loss of a Prominent Scientist: Detlef Schröder

Havlas, Zdenĕk

Journal:

Year:

2013

Language:

english

File:

PDF, 634 KB

english, 2013

21

Triisopropylamin, ein sterisch überfülltes Molekül mit eingeebneter NC3-Pyramide und einem p-Typ-Stickstoffelektronenpaar

Prof. Dr. Hans Bock, Ilka Göbel, Dr. Zdenek Havlas, Siegfried Liedle, Prof. Dr. Heinz Oberhammer

Journal:

Angewandte Chemie

Year:

1991

File:

PDF, 464 KB

1991

22

Tetrakis(dimethylamino)ethen: Ein extrem elektronenreiches Molekül mit ungewöhnlicher Struktur sowohl im Festkörper als auch in der Gasphase

Prof. Dr. Hans Bock, Dr. Horst Borrmann, Dr. Zdenek Havlas, Prof. Dr. Heinz Oberhammer, Klaus Ruppert, Prof. Dr. Arndt Simon

Journal:

Angewandte Chemie

Year:

1991

Language:

german

File:

PDF, 417 KB

german, 1991

23

Diprotonated Tetra(2-pyridyl)pyrazine and its Chemical Mimesis due to Different Hydrogen Bridges

Prof. Dr. Hans Bock, Thorsten Vaupel, Dipl.-Chem. Christian Näther, Dipl.-Chem. Klaus Ruppert, Dr. Zdenek Havlas

Journal:

Angewandte Chemie International Edition

Year:

1992

Language:

english

File:

PDF, 485 KB

english, 1992

24

Thianthren-Radikalkation-Tetrachloroaluminat

Hans Bock, Andreas Rauschenbach, Christian Näther, Markus Kleine, Zdenek Havlas

Journal:

European Journal of Inorganic Chemistry

Year:

1994

File:

PDF, 643 KB

1994

25

Theoretical Studies of Metal Ion Selectivity. 1. DFT Calculations of Interaction Energies of Amino Acid Side Chains with Selected Transition Metal Ions (Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ , Cd 2+ , and Hg 2+ )

Rulíšek, Lubomír, Havlas, Zdeněk

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 153 KB

english, 2000

26

Bare Molecular Anions of Unsaturated Hydrocarbons: Density Functional Charge and Spin Distributions Based on Their Single Crystal Structures

Havlas, Zdeněk, Bock, Hans

Journal:

Collection of Czechoslovak Chemical Communications

Year:

1998

Language:

english

File:

PDF, 349 KB

english, 1998

27

Elektronentransfer und Ionenpaar-Bildung, 34 [1 - 3] Einkristallstruktur des Solvens-separierten Radikalionenpaares [9,9′-Bianthryle·⊖][Na⊕(DME)3] / Electron Transfer and Ion Pair Formation, 34 [1-3] Single Crystal Structure of the Solvent-Separated Ion Pair [9,9′-Bianthryle·⊖][Na⊕(DME)3]

Bock, Hans, John, Andreas, Näther, Christian, Havlas, Zdenek

Journal:

Zeitschrift für Naturforschung B

Year:

1994

File:

PDF, 7.58 MB

1994

28

1,2-Diphenylbenzene Dianion: Alkali-Metal Salts with Drastically Spread C6 Rings

Hans Bock, Zdenek Havlas, Katayoun Gharagozloo-Hubmann, Sven Holl, Mark Sievert

Journal:

Angewandte Chemie International Edition

Year:

2003

Language:

english

File:

PDF, 309 KB

english, 2003

29

The Sixteen CB 11 H n Me 12- n - Anions with Fivefold Substitution Symmetry: Anodic Oxidation and Electronic Structure

King, Benjamin T., Körbe, Stefanie, Schreiber, Peter J., Clayton, Joshua, Němcová, Adriana, Havlas, Zdeněk, Vyakaranam, Kamesh, Fete, Matthew G., Zharov, Ilya, Ceremuga, Jason, Michl, Josef

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 477 KB

english, 2007

30

Quantum chemical calculation of the (S)-9-(2,3-dihydroxypropyl)adenine molecule a

Havlas, Zdeněk, Hřebabecký, Hubert, Beránek, Jiří

Journal:

Nucleic Acids Research

Year:

1980

Language:

english

File:

PDF, 209 KB

english, 1980

31

Two Thin Film Polymorphs of the Singlet Fission Compound 1,3-Diphenylisobenzofuran

Ryerson, Joseph L., Schrauben, Joel N., Ferguson, Andrew J., Sahoo, Subash Chandra, Naumov, Panče, Havlas, Zdenĕk, Michl, Josef, Nozik, Arthur J., Johnson, Justin C.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 4.76 MB

english, 2014

32

Tetraphenylbutadiene disodium dimethoxyethane: solvent-shared and solvent-separated ion triples within a single crystal

Bock, Hans, Naether, Christian, Rupper, Klaus, Havlas, Zdenek

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 307 KB

english, 1992

33

Structurally recognizable electron density transfer in the donor?acceptor complex {1,2,4,5-tetra(thioethyl) benzene?bromine2}?

Bock, Hans, Havlas, Zdenek, Rauschenbach, Andreas, N�ther, Christian, Kleine, Markus

Journal:

Chemical Communications

Year:

1996

Language:

english

File:

PDF, 259 KB

english, 1996

34

Synthesis of New Perfluorinated Telluracarbonyls and 1,3-Ditelluretanes

Baum, Michael, Bock, Hans, Haas, Alois, Havlas, Zdenek, Monse, Christian, Solouki, Bahman

Journal:

Phosphorus Sulfur and Silicon and the Related Elements

Year:

1997

Language:

english

File:

PDF, 162 KB

english, 1997

35

exo-Substituent effects in halogenated icosahedral (B12H122–) and octahedral (B6H62–) closo-borane skeletons: chemical reactivity studied by experimental and quantum chemical methods

Lepšík, Martin, Srnec, Martin, Hnyk, Drahomír, Grüner, Bohumír, Plešek, Jaromír, Havlas, Zdeněk, Rulíšek, Lubomír

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2009

Language:

english

File:

PDF, 578 KB

english, 2009

36

Electron Binding to Nucleic Acid Bases. Experimental and Theoretical Studies. A Review

Svozil, Daniel, Jungwirth, Pavel, Havlas, Zdeněk

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2004

Language:

english

File:

PDF, 410 KB

english, 2004

37

Monoklines und triklines Tetraisopropyl-para-phenylendiamin: Wie strukturbestimmend sind nN/π-Wechselwirkungen?

Prof. Dr. Hans Bock, Ilka Göbel, Christian Näther, Dr. Zdenek Havlas, Prof. Dr. Angelo Gavezzotti, Dr. Guiseppe Filippini

Journal:

Angewandte Chemie

Year:

1993

Language:

german

File:

PDF, 510 KB

german, 1993

38

Ether-Solvated Sodium Ions in Salts Containing π-Hydrocarbon Anions: Crystallization, Structures, and Semiempirical Solvation Energies

Prof. Dr. Hans Bock, Dipl.-Chem. Christian Näther, Dr. Zdenek Havlas, Dipl.-Chem. Andreas John, Dipl.-Chem. Claudia Arad

Journal:

Angewandte Chemie International Edition

Year:

1994

Language:

english

File:

PDF, 489 KB

english, 1994

39

Orthorhombic and Monoclinic 2,3,7,8-Tetramethoxythianthrene: Small Structural Difference–Large Lattice Change

Prof. Dr. Hans Bock, Dipl.-Chem. Andreas Rauschenbach, Dipl.-Chem. Christian Näther, Dr. Zdenek Havlas, Prof. Dr. Angelo Gavezzotti, Dr. Guiseppe Filippini

Journal:

Angewandte Chemie International Edition

Year:

1995

Language:

english

File:

PDF, 389 KB

english, 1995

40

The Two-Electron Reduction of 1,1′-Diphenylethene by Lithium or Sodium to Different 1,1,4,4-Tetraphenylbutane-1,4-diide Salts via CC Bond Formation—A Monomeric Dilithium Contact Ion Triple and a Polymer String of “Hydrocarbon Oysters Containing Solvated Sodium Pearls”

Prof. Dr. Hans Bock, Dipl.-Chem. Klaus Ruppert, Dr. Zdenek Havlas, Dr. Wolfgang Bensch, Dr. Wolfgang Hönle, Prof. Dr. Hans Georg von Schnering

Journal:

Angewandte Chemie International Edition

Year:

1991

Language:

english

File:

PDF, 497 KB

english, 1991

41

Competing Na+ Solvation: Ether-Shared and Ether-Separated Triple Ions of Perylene Dianion

Bock, Hans, Naether, Christian, Havlas, Zdenek

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 259 KB

english, 1995

42

Single crystal structure of [(Me2N-C6H4)2C+?+C(C6H4-NMe2)2](I3 ?)2: a twisted tetraphenylethylene dication with a C?C single bond

Bock, Hans, N�ther, Christian, Havlas, Zdenek

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1995

Language:

english

File:

PDF, 283 KB

english, 1995

43

aci-Nitrodiphenylmethan: Ein über Wasserstoffbrücken verknüpftes Dimer

Prof. Dr. Hans Bock, Rüdiger Dienelt, Holger Schödel, Dr. Zdenek Havlas, Dr. Eberhardt Herdtweck, Prof. Dr. Wolfgang A. Herrmann

Journal:

Angewandte Chemie

Year:

1993

File:

PDF, 410 KB

1993

44

Tetracyanhydrochinon und sein Dimorpholinium-Salz, Wasserstoffbrücken O-H …N und O+ … H-−N zu Stickstoff-Basen unterschiedlicher Stärke

Dr. Prof. Hans Bock, Wolfgang Seitz, Dr. Zdenek Havlas, Dr. Jan W. Bats

Journal:

Angewandte Chemie

Year:

1993

File:

PDF, 488 KB

1993

45

Molecular Design of Specific Metal-Binding Peptide Sequences from Protein Fragments: Theory and Experiment

Milan Kožíšek, Aleš Svatoš, Miloš Buděšínský, Alexander Muck, Mikael C. Bauer, Pavel Kotrba, Tomáš Ruml, Zdeněk Havlas, Sara Linse, Lubomír Rulíšek

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 743 KB

english, 2008

46

Are 1,4-Dihydropyrazines Antiaromatic? Ab initio Study of 1,4-Dihydropyrazines and Their Tetrahydro Derivatives

Vlček, Pavel, Havlas, Zdeněk, Pavlíček, Zdeněk

Journal:

Collection of Czechoslovak Chemical Communications

Year:

1999

Language:

english

File:

PDF, 197 KB

english, 1999

47

Tris(tetramethylethylenediamine-sodium)-9,9-bianthryl—The Salt of a π Hydrocarbon Radical Trianion with Three Na+–Cπ Contacts to One Molecular Half

Hans Bock, Zdenek Havlas, Delia Hess, Christian Näther

Journal:

Angewandte Chemie International Edition

Year:

1998

Language:

english

File:

PDF, 136 KB

english, 1998

48

Neues von einem „alten” Liganden: das Tripeldecker-Ionentripel Tris([18]Krone-6)-dinatriumbis(tetraphenylcyclopentadienid)

Prof. Dr. Hans Bock, Dr. Tim Hauck, Dr. Christian Näther, Zdenek Havlas

Journal:

Angewandte Chemie

Year:

1997

Language:

german

File:

PDF, 298 KB

german, 1997

49

Verzerrte Moleküle: Störungsdesign, Synthesen und Strukturen

Prof. Dr. Hans Bock, Klaus Ruppert, Christian Näther, Dr. Zdenek Havlas, Dr. Hans-Friedrich Herrmann, Claudia Arad, Ilka Göbel, Andreas John, Jochen Meuret, Sabine Nick, Andreas Rauschenbach, Wolfgang

Journal:

Angewandte Chemie

Year:

1992

Language:

german

File:

PDF, 3.31 MB

german, 1992

50

Racemization Barriers of 1,1‘-Binaphthyl and 1,1‘-Binaphthalene-2,2‘-diol: A DFT Study

Meca, Luděk, Řeha, David, Havlas, Zdeněk

Journal:

Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 139 KB

english, 2003

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