Robert J. Buenker, Sigrid D. Peyerimhoff: search on Z-Library

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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

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

5

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

6

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

7

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

8

Mixed valence—Rydberg states

Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 865 KB

english, 1975

9

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

10

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

11

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

12

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

13

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

14

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

15

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

16

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

17

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

18

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

19

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

20

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

21

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

22

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

23

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

24

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

25

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

26

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

27

Ab initio study of the photodissociation of ammonia

Ralf Runau, Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Journal of Molecular Spectroscopy

Year:

1977

Language:

english

File:

PDF, 1.36 MB

english, 1977

28

Calculation of wavefunctions and frequencies for noninfinitesimal vibrations: Comparison of various methods using ab initio CI potential curves

Miljenko Perić, Ralf Runau, Joachim Römelt, Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Journal of Molecular Spectroscopy

Year:

1979

Language:

english

File:

PDF, 1.38 MB

english, 1979

29

Calculated potential surfaces for the description of the emission spectrum of the C2H radical

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

Journal:

Journal of Molecular Spectroscopy

Year:

1979

Language:

english

File:

PDF, 802 KB

english, 1979

30

Theoretical integrated intensities for the 2ν2 and 2ν2-ν2 bands of HCN and DCN

G.C. Lie, Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Journal of Molecular Spectroscopy

Year:

1982

Language:

english

File:

PDF, 554 KB

english, 1982

31

Ab initio investigation of the vibronic structure in the C2H spectrum: Calculation of vibronic energies and wavefunctions for various isotopomers

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

Journal:

Journal of Molecular Spectroscopy

Year:

1991

Language:

english

File:

PDF, 1.28 MB

english, 1991

32

Ab initio study of the structure, isomers and vertical electronic spectrum of the formyl radical HCO

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

Journal:

Journal of Molecular Structure

Year:

1976

Language:

english

File:

PDF, 1.23 MB

english, 1976

33

Structure and stability of the HFF and FHF radicals

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

Journal:

Journal of Molecular Structure

Year:

1977

Language:

english

File:

PDF, 791 KB

english, 1977

34

MRD-CI calculations for the structure and stability of the hsin-hnsi isomers

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

Journal:

Journal of Molecular Structure

Year:

1978

Language:

english

File:

PDF, 888 KB

english, 1978

35

Non-empirical calculations on the rydberg states of ethylene

Ursula Fischbach, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics

Year:

1974

Language:

english

File:

PDF, 962 KB

english, 1974

36

Ab initio calculations on the electronic spectrum of ethane

Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics

Year:

1975

Language:

english

File:

PDF, 1.05 MB

english, 1975

37

All-valence-electron configuration mixing calculations for the characterization of the 1(π, π*) states of ethylene

Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics

Year:

1975

Language:

english

File:

PDF, 1.28 MB

english, 1975

38

Theoretical study of the vertical electronic spectrum of O2: Mixing of valence and Rydberg states

Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics

Year:

1975

Language:

english

File:

PDF, 1.48 MB

english, 1975

39

Theoretical study of the electronic spectrum of diimide by AB initio methods

Krishnaswamy Vasudevan, Sigrid D. Peyerimhoff, Robert J. Buenker, Wolf E. Kammer, Hsiang-lin Hsu

Journal:

Chemical Physics

Year:

1975

Language:

english

File:

PDF, 1.70 MB

english, 1975

40

Ab initio investigation of the HCO+ and COH+ molecule-ions: Structure and potential surfaces for dissociation in ground and excited states

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

Journal:

Chemical Physics

Year:

1975

Language:

english

File:

PDF, 982 KB

english, 1975

41

Ab initio CI study of the electronic spectrum of acetone

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

Journal:

Chemical Physics

Year:

1976

Language:

english

File:

PDF, 917 KB

english, 1976

42

MRD-CI calculations for the vertical electronic spectrum of the hydroperoxyl radical

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

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 610 KB

english, 1978

43

Ab initio MRD-CI study of ethane: The 14–25 eV PES region and Rydberg states of positive ions

Adolf Richartz, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 669 KB

english, 1978

44

Calculation of the vertical electronic spectrum of the nitrogen molecule using the mrd-ci method

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

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 1.04 MB

english, 1978

45

Ab initio SCF and CI study of the HCS+-CSH+ system: Potential surfaces for hydrogen abstraction and internuclear bending For ground and excited states and vertical spectrum for HCS+

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

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 870 KB

english, 1978

46

A comparison of the ethylene ionization potentials obtained by the Green's function method and from CI calculations

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

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 454 KB

english, 1978

47

An SCF and MRD-CI study of the ground and excited states of the He + H2 system. I. Calculated potential surfaces

Joachim Römelt, Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 1.40 MB

english, 1978

48

Calculation of the vertical electronic spectrum of propane

Adolf Richartz, Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 802 KB

english, 1978

49

An SCF and MRD-CI study of the ground and excited states of the He + H2 system. II. Quenching of HD (1Σ+u) fluorescence and other energy transfer processes

Joachim Römelt, Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics

Year:

1979

Language:

english

File:

PDF, 700 KB

english, 1979

50

An MRD-CI study of the vertical 1(π,π*) VN transition of ethylene using an AO basis with optimized Rydderg ndπ species and two se

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

Journal:

Chemical Physics

Year:

1979

Language:

english

File:

PDF, 1.38 MB

english, 1979