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1

Molecular geometry and the Mulliken-Walsh molecular orbital model. Ab initio study

Buenker, Robert J., Peyerimhoff, Sigrid D.

Journal:

Chemical Reviews

Year:

1974

Language:

english

File:

PDF, 6.88 MB

english, 1974

2

Calculation of the vertical electron attachment energy of carbon dioxide: Continuum states for negative ions

Pablo J. Bruna, Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 685 KB

english, 1976

3

Non-adiabatic coupling matrix elements for large CI wavefunctions

Gerhard Hirsch, Pablo J. Bruna, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics

Year:

1980

Language:

english

File:

PDF, 968 KB

english, 1980

4

What Are the Reasons for the Kinetic Stability of a Mixture of H 2 and O 2 ?

Filatov, Michael, Reckien, Werner, Peyerimhoff, Sigrid D., Shaik, Sason

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 202 KB

english, 2000

5

Über die Chemie der Phosphorsuboxide

Bernd Engels, Anna Regina Soares Valentim, Sigrid D. Peyerimhoff

Journal:

Angewandte Chemie

Year:

2001

Language:

german

File:

PDF, 200 KB

german, 2001

6

Theoretical Characterization of Photoisomerization Channels of Dimethylpyridines on the Singlet and Triplet Potential Energy Surfaces

Zexing Cao, Qianer Zhang, Sigrid D. Peyerimhoff

Journal:

Chemistry - A European Journal

Year:

2001

Language:

english

File:

PDF, 224 KB

english, 2001

7

About the Chemistry of Phosphorus Suboxides

Bernd Engels, Anna R. Soares Valentim, Sigrid D. Peyerimhoff

Journal:

Angewandte Chemie International Edition

Year:

2001

Language:

english

File:

PDF, 204 KB

english, 2001

8

Biphenylene mit stark trapezförmig verzerrtem Vierring

Prof. Dr. Fritz Vögtle, Klaus Saitmacher, Prof. Dr. Sigrid Peyerimhoff, Dorothee Hippe, Prof. Dr. Heinrich Puff, Dr. Petra Büllesbach

Journal:

Angewandte Chemie

Year:

1987

Language:

german

File:

PDF, 236 KB

german, 1987

9

Einfluß der Ladungsverteilung auf die Bindungslängen im P4O6-Gerüst von Verbindungen des Typs P4O6X

Dipl.-Chem. Max Mühlhäuser, Priv.-Doz. Dr. Bernd Engels, Priv.-Doz. Dr. Christel M. Marian, Prof. Dr. Sigrid D. Peyerimhoff, Dr. Pablo J. Bruna, Prof. Dr. Martin Jansen

Journal:

Angewandte Chemie

Year:

1994

Language:

german

File:

PDF, 468 KB

german, 1994

10

Biphenylenes with Strongly Distorted Trapezoidal Four-Membered Ring

Prof. Dr. Fritz Vögtle, Dipl.-Chem. Klaus Saitmacher, Prof. Dr. Sigrid Peyerimhoff, Dipl.-Chem. Dorothee Hippe, Prof. Dr. Heinrich Puff, Dr. Petra Büllesbach

Journal:

Angewandte Chemie International Edition

Year:

1987

Language:

english

File:

PDF, 247 KB

english, 1987

11

The Influence of Charge Distribution on Bond Lengths in the P4O6 Framework in Compounds of the Type P4O6X

Dipl.-Chem. Max Mühlhäuser, Priv.-Doz. Dr. Bernd Engels, Priv.-Doz. Dr. Christel M. Marian, Prof. Dr. Sigrid D. Peyerimhoff, Dr. Pablo J. Bruna, Prof. Dr. Martin Jansen

Journal:

Angewandte Chemie International Edition

Year:

1994

Language:

english

File:

PDF, 341 KB

english, 1994

12

Structure and electronic spectra of small free radicals by quantummechanical methods

Pablo J. Bruna, Sigrid Peyerimhoff

Journal:

Bulletin des Sociétés Chimiques Belges

Year:

1983

Language:

english

File:

PDF, 1.40 MB

english, 1983

13

Notiz/Note P4O7 und P4O6S, Vergleich der Molekül- und Kristallstrukturen

Frank Frick, Martin Jansen, Pablo J. Bruna, Sigrid D. Peyerimhoff

Journal:

European Journal of Inorganic Chemistry

Year:

1991

File:

PDF, 321 KB

1991

14

Theory and Experiment in Concert: Templated Synthesis of Amide Rotaxanes, Catenanes, and Knots

Christoph A. Schalley, Werner Reckien, Sigrid Peyerimhoff, Bilge Baytekin, Fritz Vögtle

Journal:

Chemistry - A European Journal

Year:

2004

Language:

english

File:

PDF, 531 KB

english, 2004

15

ChemInform Abstract: The Chemistry of Phosphorus Suboxides.

Bernd Engels, Anna R. Soares Valentim, Sigrid D. Peyerimhoff

Journal:

Year:

2001

File:

PDF, 29 KB

2001

16

Ab initio MRD-CI Study of the Electronic Spectrum of BrNO2 and Photofragmentation.

Antonija Lesar, Sasa Kovacic, Milan Hodoscek, Max Muehlhaeuser, Sigrid D. Peyerimhoff

Journal:

Year:

2004

File:

PDF, 7 KB

2004

17

Perturbative Handling of the Renner–Teller Effect and Spin–Orbit Coupling in Δ Electronic States of Triatomic and Tetra-atomic Molecules

Miljenko Perić, Sigrid D. Peyerimhoff

Journal:

Journal of Molecular Spectroscopy

Year:

2002

Language:

english

File:

PDF, 133 KB

english, 2002

18

Perturbative Handling of the Renner–Teller Effect and Spin–Orbit Coupling in Π Electronic States of Triatomic and Tetra-atomic Molecules

Miljenko Perić, Sigrid D. Peyerimhoff

Journal:

Journal of Molecular Spectroscopy

Year:

2002

Language:

english

File:

PDF, 160 KB

english, 2002

19

Ab Initio MRD-CI Investigation of the Electronic Spectrum of Dichloromethanol Cl2CHOH

Melanie Schnell, Max Mühlhäuser, Sigrid D. Peyerimhoff

Journal:

Journal of Molecular Spectroscopy

Year:

2002

Language:

english

File:

PDF, 466 KB

english, 2002

20

Non-empirical calculations on the electronic spectrum of butadiene

Shingkuo Shih, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1972

Language:

english

File:

PDF, 713 KB

english, 1972

21

Comparison of various CI treatments for the description of potential curves for the lowest three states of O2

Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics Letters

Year:

1972

Language:

english

File:

PDF, 936 KB

english, 1972

22

Theoretical investigation of the cyclic conformer of ozone

Shingkuo Shih, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 868 KB

english, 1974

23

Calculations on the electronic spectrum of water

Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 731 KB

english, 1974

24

Mixed valence—Rydberg states

Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 865 KB

english, 1975

25

Ab initio study of the mixing of valence and Rydberg states in O2: CI potential curves for the3Σu−,3Δu and3Πu states

Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 691 KB

english, 1975

26

All-valence-electron CI study of the ground and lowest excited states of the hydroperoxyl radical

Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 378 KB

english, 1976

27

AB initio vibrational analysis of the Schumann—Runge bands and the neighboring absorption region of molecular oxygen

Robert J. Buenker, Sigrid D. Peyerimhoff, Miljenko Perić

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 732 KB

english, 1976

28

Ab initio CI study of the stability and electronic spectrum of the HOCl molecule

Gerhard Hirsch, Pablo J. Bruna, Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 732 KB

english, 1977

29

All-electron CI calculations for core-ionized, core-valence excited and shake-up states of N2

Werner Butscher, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 902 KB

english, 1977

30

Configuration interaction calculations for the N2 molecule and its three lowest dissociation limits

Werner Butscher, Shing-Kuo Shih, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 578 KB

english, 1977

31

Theoretical study of the vertical electronic spectrum of NO2

Shing-Kuo Shih, Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 653 KB

english, 1977

32

Potential curves for dissociative electron attachment of CFCl3

Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 567 KB

english, 1979

33

Theoretical study of the electronically excited states of the HNSi molecule

Roderich Preuss, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 405 KB

english, 1979

34

A theoretical study of the bound electronic states of the C−2 negative ion

Monika Zeitz, Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 612 KB

english, 1979

35

The ground state of the CN+ ion: a multi-reference Ci study

Pablo J. Bruna, Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics Letters

Year:

1980

Language:

english

File:

PDF, 642 KB

english, 1980

36

Theoretical study of the electronic transition moments for the d3Πg-a3Πu (SWAN) and e3Πg-a3Πu (Fox-Herzberg) bands in C2

Cary F. Chabalowski, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 740 KB

english, 1981

37

Investigation of electron correlation on the theoretical prediction of zero-field splittings of 2Π molecular states

Bernd A. Hess, Robert J. Buenker, Christel M. Marian, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 276 KB

english, 1982

38

Potential energy surfaces for the photodissociation H2O→O(1Dg + H2(X1Σ+g)

Giannoula Theodorakopoulos, Cleanthes A. Nicolaides, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 531 KB

english, 1982

39

Comparison of perturbatively corrected MRD CI results with a full CI treatment of the BH ground state

Peter G. Burton, Robert J. Buenker, Pablo J. Bruna, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 681 KB

english, 1983

40

Ab initio study of the Renner-Teller effect in 1Δg state of CH2

Miljenko Perić, Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 399 KB

english, 1984

41

Ab initio SCF and MRD CI studies of the FHCl− ion

Abani B. Sannigrahi, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 398 KB

english, 1984

42

Bending potentials for H2O in the ground and the first six singlet excited states

Giannoula Theodorakopoulos, Ioannis D. Petsalakis, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 354 KB

english, 1984

43

Spectroscopy and dynamics of the isolated CH chromophore in CD3H: Experiment and theory

Sigrid Peyerimhoff, Marius Lewerenz, Martin Quack

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 591 KB

english, 1984

44

Potential surfaces and vibronic coupling for the conical intersection of the Ã2A1 and B̃2B2 states of NH2

Carlo Petrongolo, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 362 KB

english, 1985

45

Ab initio SCF and CI study of the electronic structure and spectrum of the chlorine difluoride radical

A.B. Sannigrahi, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 314 KB

english, 1985

46

Ab initio study of the HeAr+ ion: potential energy curves for the lowest states, spin-orbit coupling and predissociation rates

Bernhard Gemein, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 592 KB

english, 1990

47

Relative stabilities of the asymmetric OPOP, symmetric OPPO and cyclic conformations of P2O2

Pablo J. Bruna, Max Mühlhäuser, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 514 KB

english, 1991

48

Theoretical study of the vibronic interactions in the ground and first excited a3Π and a'3Σ+ states of the CO molecule

Bernhard Gemein, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 573 KB

english, 1991

49

An MRD-CI study of low-lying electronic states in CaF

Peter Bündgen, Bernd Engels, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 532 KB

english, 1991

50

Effective potentials for spectator groups in molecular systems. Transition energies and transition moments

Malte von Arnim, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 645 KB

english, 1993

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