Wolfgang Eisfeld : rechercher sur Z-Library

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1

A New Fluorescent Calix Crown Ether: Synthesis and Complex Formation with Alkali Metal Ions

Ion Stoll, Jens Eberhard, Ralf Brodbeck, Wolfgang Eisfeld, Jochen Mattay

Journal:

Chemistry - A European Journal

Année:

2008

Langue:

english

Fichier:

PDF, 548 KB

english, 2008

2

Quantum dynamics and geometric phase in E ⊗ e Jahn-Teller systems with general Cnv symmetry

Weike, Thomas, Williams, David M. G., Viel, Alexandra, Eisfeld, Wolfgang

Journal:

The Journal of Chemical Physics

Année:

2019

Langue:

english

Fichier:

PDF, 10.38 MB

english, 2019

3

Regioselectivity in cycloaddition reaction between phosphaacetylene and diazomethane: Anab initio study

Nyul�szi, L�szl�, V�rnai, P�ter, Eisfeld, Wolfgang, Regitz, Manfred

Journal:

Journal of Computational Chemistry

Année:

1997

Langue:

english

Fichier:

PDF, 164 KB

english, 1997

4

Synthesis and Characterization of β-Phosphaenones An Investigation on the Conjugative Properties of the PC Bond

Marcel Van Der Sluis, Friedrich Bickelhaupt, Nora Veldman, Huub Kooijman, Anthony L. Spek, Wolfgang Eisfeld, Manfred Regitz

Journal:

European Journal of Inorganic Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 1.21 MB

english, 1995

5

ChemInform Abstract: Diphosphetes—Substituent Stabilized Ring Systems.

Guy Bertrand, Wolfgang Eisfeld, Laszlo Nyulaszi, Regis Reau, Manfred Regitz, Denes Szieberth

Journal:

Année:

2001

Langue:

english

Fichier:

PDF, 32 KB

english, 2001

6

Nucleophilic Carbenes and Pseudo-Cross-Conjugated Mesomeric Betaines of Indazole Starting from Analogues of the Alkaloid-Betaine Nigellicine

Andreas Schmidt, Lars Merkel, Wolfgang Eisfeld

Journal:

European Journal of Organic Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 123 KB

english, 2005

7

Zur photosensibilisierten Autoxydation der Steroide: Δ5-Steroid-7α-hydroperoxyde und -7-ketone durch Allylumlagerung von Δ6-Steroid-5α-hydroperoxyden

Günther O. Schenck, O.-Albrecht Neumüller, Wolfgang Eisfeld

Journal:

European Journal of Organic Chemistry

Année:

1958

Langue:

german

Fichier:

PDF, 454 KB

german, 1958

8

Durch Bengalrosa sensibilisierte Typ-II-Photooxygenierung („Singulett-O2-Reaktion”) von 3 β-Acetoxy-Δ7-cholesten und 3 β, 7α-Diacetoxy-Δ8(14)-cholesten

GüNther O. Schenck, Wolfgang Eisfeld, Otto-Albrecht Neumüller

Journal:

European Journal of Organic Chemistry

Année:

1975

Fichier:

PDF, 665 KB

1975

9

Towards a higher-order description of Jahn–Teller coupling effects in molecular spectroscopy: The state of NO3

Shirin Faraji, Horst Köppel, Wolfgang Eisfeld, Susanta Mahapatra

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 309 KB

english, 2008

10

Effects of multimode Jahn-Teller coupling on the photodetachment spectrum of nitrate anion ()

Susanta Mahapatra, Wolfgang Eisfeld, Horst Köppel

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 289 KB

english, 2007

11

Ring enlargement of phosphatriafulvenes with azides to 1H-2-iminophosphetes

Wolfgang Eisfeld, Michael Slany, Uwe Bergsträßer, Manfred Regitz

Journal:

Tetrahedron Letters

Année:

1994

Langue:

english

Fichier:

PDF, 273 KB

english, 1994

12

Photoionization-induced dynamics of the ammonia cation studied by wave packet calculations using curvilinear coordinates

Alexandra Viel, Wolfgang Eisfeld, Christian R. Evenhuis, Uwe Manthe

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 248 KB

english, 2008

13

Ab initio investigation of the vertical and adiabatic excitation spectrum of NO[sub 3]

Eisfeld, Wolfgang, Morokuma, Keiji

Journal:

The Journal of Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 467 KB

english, 2001

14

Coordination Chemistry of Verdazyl Radicals: Group 12 Metal (Zn, Cd, Hg) Complexes of 1,4,5,6-Tetrahydro-2,4-dimethyl-6-(2‘-pyridyl)-1,2,4,5-tetrazin-3(2 H )-one (pvdH 3 ) and 1,5-Dimethyl-3-(2‘-pyridyl)-6-oxoverdazyl (pvd)

Brook, David J. R., Fornell, Spring, Stevens, Jonathan E., Noll, Bruce, Koch, Tad H., Eisfeld, Wolfgang

Journal:

Inorganic Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 125 KB

english, 2000

15

Theoretical study of the potential stability of the peroxo nitrate radical

Eisfeld, Wolfgang, Morokuma, Keiji

Journal:

The Journal of Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 353 KB

english, 2003

16

Coupled potential energy surface for the F(2P) + CH4 → HF + CH3 entrance channel and quantum dynamics of the CH4 [middle dot] F− photodetachment

Westermann, Till, Eisfeld, Wolfgang, Manthe, Uwe

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 1.55 MB

english, 2013

17

Resonance Raman Spectrum of the Solvated Electron in Methanol: Simulation within a Cluster Model

Neumann, Stefanie, Eisfeld, Wolfgang, Sobolewski, Andrzej L., Domcke, Wolfgang

Journal:

Journal of Physical Chemistry A

Année:

2006

Langue:

english

Fichier:

PDF, 154 KB

english, 2006

18

A Strained Aminoazoniatricyclene Species: Result of an Intramolecular Stabilization of a Cyclopropaniminium Ion by an Amino Moiety

Dotzauer, Matthias, Eisfeld, Wolfgang, Vilsmaier, Elmar, Fröhlich, Karin, Bergsträsser, Uwe, Tetzlaff, Claus

Journal:

Journal of Organic Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 316 KB

english, 1996

19

Atmospheric Oxidation Mechanism of Hydroxymethyl Hydroperoxide †

Francisco, Joseph S., Eisfeld, Wolfgang

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.29 MB

english, 2009

20

Ab Initio Theoretical Investigation of the Formation of Phosphirenylium Ions from 1-Halo-1 H -phosphirenes 1

Eisfeld, Wolfgang, Regitz, Manfred

Journal:

Journal of Organic Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 139 KB

english, 1998

21

Toward Spin–Orbit Coupled Diabatic Potential Energy Surfaces for Methyl Iodide Using Effective Relativistic Coupling by Asymptotic Representation

Wittenbrink, Nils, Ndome, Hameth, Eisfeld, Wolfgang

Journal:

Journal of Physical Chemistry A

Année:

2013

Langue:

english

Fichier:

PDF, 1.01 MB

english, 2013

22

Effects of higher order Jahn-Teller coupling on the nuclear dynamics

Viel, Alexandra, Eisfeld, Wolfgang

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 333 KB

english, 2004

23

Study on the Correlation and Prediction of Octanol/Water Partition Coefficients by Quantum Chemical Calculations

Eisfeld, Wolfgang, Maurer, Gerd

Journal:

Journal of Physical Chemistry B

Année:

1999

Langue:

english

Fichier:

PDF, 128 KB

english, 1999

24

Addition Reactions and Redox Esterifications of Carbonyl Compounds by N -Heterocyclic Carbenes of Indazole

Schmidt, Andreas, Habeck, Tobias, Snovydovych, Bohdan, Eisfeld, Wolfgang

Journal:

Organic Letters

Année:

2007

Langue:

english

Fichier:

PDF, 72 KB

english, 2007

25

Energetic and Structural Aspects of the Solvation of Anions in Liquid SO 2

Eisfeld, Wolfgang, Regitz, Manfred

Journal:

Journal of the American Chemical Society

Année:

1996

Langue:

english

Fichier:

PDF, 177 KB

english, 1996

26

Influence of Complex Exciton-Phonon Coupling on Optical Absorption and Energy Transfer of Quantum Aggregates

Roden, Jan, Eisfeld, Alexander, Wolff, Wolfgang, Strunz, Walter T.

Journal:

Physical Review Letters

Année:

2009

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2009

27

Experimental and Theoretical Study of the Electronic Spectrum of the Methylene Amidogen Radical (H 2 CN): Verification of the 2 A 1 ← 2 B 2 Assignment

Teslja, Alexey, Dagdigian, Paul J., Banck, Michael, Eisfeld, Wolfgang

Journal:

Journal of Physical Chemistry A

Année:

2006

Langue:

english

Fichier:

PDF, 140 KB

english, 2006

28

Calculation of the Vibrationally Resolved Electronic Absorption Spectrum of the Propargyl Radical (H 2 CCCH)

Eisfeld, Wolfgang

Journal:

Journal of Physical Chemistry A

Année:

2006

Langue:

english

Fichier:

PDF, 151 KB

english, 2006

29

Generation of the First Persistent Phosphirenylium Cation

Laali, Kenneth K., Geissler, Bernhard, Wagner, Oliver, Hoffmann, Juergen, Armbrust, Ralph, Eisfeld, Wolfgang, Regitz, Manfred

Journal:

Journal of the American Chemical Society

Année:

1994

Langue:

english

Fichier:

PDF, 223 KB

english, 1994

30

Photoionization-induced dynamics of ammonia: Ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation

Viel, Alexandra, Eisfeld, Wolfgang, Neumann, Stefanie, Domcke, Wolfgang, Manthe, Uwe

Journal:

The Journal of Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 478 KB

english, 2006

31

Higher order (A+E)⊗e pseudo-Jahn–Teller coupling

Eisfeld, Wolfgang, Viel, Alexandra

Journal:

The Journal of Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 304 KB

english, 2005

32

Diphosphetes—substituent stabilized ring systems

Bertrand, Guy, Eisfeld, Wolfgang, Nyulászi, László, Reau, Regis, Regitz, Manfred, Szieberth, Dénes

Journal:

Journal of the Chemical Society Perkin Transactions 2

Année:

2000

Langue:

english

Fichier:

PDF, 129 KB

english, 2000

33

Simulation of the resonance Raman spectrum of the hydrated electron in the hydrated-hydronium cluster model

Neumann, Stefanie, Eisfeld, Wolfgang, Sobolewski, Andrzej, Domcke, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 636 KB

english, 2004

34

Theoretical study of the photodetachment spectrum of the methylene amidogene anion (H2CN?)

Eisfeld, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 586 KB

english, 2005

35

Ab initio calculation of electronic absorption spectra and ionization potentials of C3H3 radicals

Eisfeld, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 754 KB

english, 2005

36

Theoretical investigation of the absorption and ionization spectrum of the super greenhouse gas SF5CF3

Turki, Mohamed, Eisfeld, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 606 KB

english, 2005

37

Theoretical investigation of ground and excited states of the methylene amidogene radical (H[sub 2]CN)

Eisfeld, Wolfgang

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 342 KB

english, 2004

38

A detailed study on the symmetry breaking and its effect on the potential surface of NO[sub 3]

Eisfeld, Wolfgang, Morokuma, Keiji

Journal:

The Journal of Chemical Physics

Année:

2000

Langue:

english

Fichier:

PDF, 359 KB

english, 2000

39

Full-dimensional diabatic potential energy surfaces including dissociation: The 2E″ state of NO3

Eisfeld, Wolfgang, Vieuxmaire, Olivier, Viel, Alexandra

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 1.94 MB

english, 2014

40

Theoretical study of the photoelectron spectrum of NO[sub 3] and the excited states of NO[sub 3][sup +]. I. Electronic spectrum

Eisfeld, Wolfgang, Morokuma, Keiji

Journal:

The Journal of Chemical Physics

Année:

2002

Langue:

english

Fichier:

PDF, 336 KB

english, 2002

41

Slow electron velocity-map imaging spectroscopy of the 1-propynyl radical

Zhou, Jia, Garand, Etienne, Eisfeld, Wolfgang, Neumark, Daniel M.

Journal:

The Journal of Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 458 KB

english, 2007

42

Excited states and photodissociation of hydroxymethyl hydroperoxide

Eisfeld, Wolfgang, Francisco, Joseph S.

Journal:

The Journal of Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 266 KB

english, 2008

43

Structure, spectroscopic properties, and photochemistry of the hydroxymethoxy radical

Eisfeld, Wolfgang, Francisco, Joseph S.

Journal:

The Journal of Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 793 KB

english, 2009

44

Highly accurate determination of the electron affinity of SF[sub 6] and analysis of structure and photodetachment spectrum of SF[sub 6][sup −]

Eisfeld, Wolfgang

Journal:

The Journal of Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 412 KB

english, 2011

45

Erratum: “Highly accurate determination of the electron affinity of SF6 and analysis of structure and photodetachment spectrum of SF[sub 6][sup −]” [J. Chem. Phys. 134, 054303 (2011)]

Eisfeld, Wolfgang

Journal:

The Journal of Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 43 KB

english, 2011

46

A new method to generate spin-orbit coupled potential energy surfaces: Effective relativistic coupling by asymptotic representation

Ndome, Hameth, Welsch, Ralph, Eisfeld, Wolfgang

Journal:

The Journal of Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 556 KB

english, 2012

47

Spin-orbit coupled potential energy surfaces and properties using effective relativistic coupling by asymptotic representation

Ndome, Hameth, Eisfeld, Wolfgang

Journal:

The Journal of Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 348 KB

english, 2012

48

Block-diagonalization as a tool for the robust diabatization of high-dimensional potential energy surfaces

Venghaus, Florian, Eisfeld, Wolfgang

Journal:

The Journal of Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 606 KB

english, 2016

49

Development of multi-mode diabatic spin-orbit models at arbitrary order

Weike, Thomas, Eisfeld, Wolfgang

Journal:

The Journal of Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 336 KB

english, 2016

50

Vibronic eigenstates and the geometric phase effect in the 2 E″ state of NO 3

Eisfeld, Wolfgang, Viel, Alexandra

Journal:

The Journal of Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 566 KB

english, 2017