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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

Année:

1974

Langue:

english

Fichier:

PDF, 6.88 MB

english, 1974

2

Application of relativity theory to the global positioning system

Buenker, Robert J.

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 115 KB

english, 2014

3

On the numerical solution of the multidimensional vibrational time-independent Schroedinger equation

J.R. Alvarez-Collado, Robert J. Buenker

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 663 KB

english, 1992

4

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

Année:

1976

Langue:

english

Fichier:

PDF, 685 KB

english, 1976

5

Ab initio MRD-CI potential surfaces for the low-lying states of the NH+2 molecular ion

Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics

Année:

1979

Langue:

english

Fichier:

PDF, 833 KB

english, 1979

6

Non-adiabatic coupling matrix elements for large CI wavefunctions

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

Journal:

Chemical Physics

Année:

1980

Langue:

english

Fichier:

PDF, 968 KB

english, 1980

7

Ab initio study of the isomerization HNC → HCN. I. Ab initio calculation of the HNC ⇌ HCN potential surface and the corresponding energy levels

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

Journal:

Chemical Physics

Année:

1983

Langue:

english

Fichier:

PDF, 1.40 MB

english, 1983

8

Configuration interaction study including the effects of spin–orbit coupling for the electronic states of the LiX molecules (X = C, Si, Ge, Sn)

Rai-Constapel, Vidisha, Liebermann, Heinz-Peter, Alekseyev, Aleksey B., Buenker, Robert J.

Journal:

Molecular Physics

Année:

2011

Langue:

english

Fichier:

PDF, 498 KB

english, 2011

9

Degree of freedom in the Lorentz transformation

Buenker, Robert J.

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 81 KB

english, 2013

10

Accurate atomic Gaussian basis functions for second-row atoms: Small split-valence 3-21SP and 4-22SP basis sets

Mitin, Alexander V., Hirsch, Gerhard, Buenker, Robert J.

Journal:

Journal of Computational Chemistry

Année:

1997

Langue:

english

Fichier:

PDF, 155 KB

english, 1997

11

Complex configuration interaction calculations of the cross section for the dissociative electron attachment process e− + F2 → F → F + F− using the complex basis function method

Michael Honigmann, Robert J. Buenker, Heinz-Peter Liebermann

Journal:

Journal of Computational Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 190 KB

english, 2012

12

Anab initioCalculation of the Dipole Moment Surfaces and the Vibrational Transition Moments of the H2Te Molecule

Igor N. Kozin, Per Jensen, Yan Li, Robert J. Buenker, Gerhard Hirsch, Stefan Klee

Journal:

Journal of Molecular Spectroscopy

Année:

1997

Langue:

english

Fichier:

PDF, 334 KB

english, 1997

13

Ab initioRelativistic CI Calculations of the Spectroscopic Constants and Transition Probabilities for the Low-Lying States of the BiOH/HBiO Isomers

Yang Khandogin, Aleksey B. Alekseyev, Heinz-Peter Liebermann, Gerhard Hirsch, Robert J. Buenker

Journal:

Journal of Molecular Spectroscopy

Année:

1997

Langue:

english

Fichier:

PDF, 297 KB

english, 1997

14

A Theoretical Investigation of the Renner Interactions and Magnetic Dipole Transitions in the Ã–X̃ Electronic Band System of HO2

Gerald Osmann, P.R. Bunker, Per Jensen, Robert J. Buenker, Jian-ping Gu, Gerhard Hirsch

Journal:

Journal of Molecular Spectroscopy

Année:

1999

Langue:

english

Fichier:

PDF, 280 KB

english, 1999

15

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

Année:

1972

Langue:

english

Fichier:

PDF, 936 KB

english, 1972

16

Non-empirical calculations on the electronic spectrum of butadiene

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

Journal:

Chemical Physics Letters

Année:

1972

Langue:

english

Fichier:

PDF, 713 KB

english, 1972

17

Theoretical investigation of the cyclic conformer of ozone

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

Journal:

Chemical Physics Letters

Année:

1974

Langue:

english

Fichier:

PDF, 868 KB

english, 1974

18

Calculations on the electronic spectrum of water

Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Année:

1974

Langue:

english

Fichier:

PDF, 731 KB

english, 1974

19

Mixed valence—Rydberg states

Robert J. Buenker, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Année:

1975

Langue:

english

Fichier:

PDF, 865 KB

english, 1975

20

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

Année:

1975

Langue:

english

Fichier:

PDF, 691 KB

english, 1975

21

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

Année:

1976

Langue:

english

Fichier:

PDF, 378 KB

english, 1976

22

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

Année:

1976

Langue:

english

Fichier:

PDF, 732 KB

english, 1976

23

All-valence-electron CI treatment of the electronic spectrum of trans-butadiene

Robert J. Buenker, S. Shih, S.D. Peyerimhoff

Journal:

Chemical Physics Letters

Année:

1976

Langue:

english

Fichier:

PDF, 941 KB

english, 1976

24

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

Année:

1977

Langue:

english

Fichier:

PDF, 732 KB

english, 1977

25

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

Année:

1977

Langue:

english

Fichier:

PDF, 902 KB

english, 1977

26

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

Année:

1977

Langue:

english

Fichier:

PDF, 578 KB

english, 1977

27

Theoretical study of the vertical electronic spectrum of NO2

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

Journal:

Chemical Physics Letters

Année:

1977

Langue:

english

Fichier:

PDF, 653 KB

english, 1977

28

Potential curves for dissociative electron attachment of CFCl3

Sigrid D. Peyerimhoff, Robert J. Buenker

Journal:

Chemical Physics Letters

Année:

1979

Langue:

english

Fichier:

PDF, 567 KB

english, 1979

29

Theoretical study of the electronically excited states of the HNSi molecule

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

Journal:

Chemical Physics Letters

Année:

1979

Langue:

english

Fichier:

PDF, 405 KB

english, 1979

30

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

Année:

1979

Langue:

english

Fichier:

PDF, 612 KB

english, 1979

31

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

Année:

1980

Langue:

english

Fichier:

PDF, 642 KB

english, 1980

32

Ab initio potential surface for ozone decomposition

James S. Wright, Shing-kuo Shih, Robert J. Buenker

Journal:

Chemical Physics Letters

Année:

1980

Langue:

english

Fichier:

PDF, 475 KB

english, 1980

33

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

Année:

1981

Langue:

english

Fichier:

PDF, 740 KB

english, 1981

34

Ab initio configuration interaction study of the X3ϵ−, a1Δ and b1ϵ+ states of so and S2

Giannoula Theodorakopoulos, S.D Peyerimhoff, Robert J Buenker

Journal:

Chemical Physics Letters

Année:

1981

Langue:

english

Fichier:

PDF, 573 KB

english, 1981

35

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

Année:

1982

Langue:

english

Fichier:

PDF, 276 KB

english, 1982

36

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

Année:

1982

Langue:

english

Fichier:

PDF, 531 KB

english, 1982

37

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

Année:

1983

Langue:

english

Fichier:

PDF, 681 KB

english, 1983

38

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

Année:

1984

Langue:

english

Fichier:

PDF, 399 KB

english, 1984

39

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

Année:

1984

Langue:

english

Fichier:

PDF, 354 KB

english, 1984

40

The effect of bond functions on molecular dissociation energies

James S. Wright, Robert J. Buenker

Journal:

Chemical Physics Letters

Année:

1984

Langue:

english

Fichier:

PDF, 503 KB

english, 1984

41

An ab initio study of the rotation—vibration energy levels of GeH2 in the X̃1A1 state

Philip R. Bunker, Robin A. Phillips, Robert J. Buenker

Journal:

Chemical Physics Letters

Année:

1984

Langue:

english

Fichier:

PDF, 358 KB

english, 1984

42

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

Année:

1985

Langue:

english

Fichier:

PDF, 362 KB

english, 1985

43

Ab initio MRD CI calculation of the zero-field splitting of the 2Π ground state of the CBr molecule

Bernd A. Hess, Praphull Chandra, Robert J. Buenker

Journal:

Chemical Physics Letters

Année:

1985

Langue:

english

Fichier:

PDF, 322 KB

english, 1985

44

The ab initio calculation of the band origin and vibrational frequencies of the Ã-X̃ system of HNCl using the non-rigid bender hamiltonian

P.R. Bunker, David B. Knowles, Britta L. Schürmann, Robert J. Buenker

Journal:

Chemical Physics Letters

Année:

1987

Langue:

english

Fichier:

PDF, 416 KB

english, 1987

45

Factors involved in the accurate calculation of oscillator strengths: the A1B1-X1A1 transition of H2O

Robin A. Phillips, Robert J. Buenker

Journal:

Chemical Physics Letters

Année:

1987

Langue:

english

Fichier:

PDF, 466 KB

english, 1987

46

Ab initio calculations of the electronic transition moments and radiative lifetimes in some BN band systems

K. Bhanuprakash, Robert J. Buenker

Journal:

Chemical Physics Letters

Année:

1988

Langue:

english

Fichier:

PDF, 546 KB

english, 1988

47

An ab initio CI study of the lowest electronic states of the HPF molecule

Britta L. Schürmann, David B. Knowles, Gerhard Hirsch, Robert J. Buenker

Journal:

Chemical Physics Letters

Année:

1988

Langue:

english

Fichier:

PDF, 659 KB

english, 1988

48

An ab initio CI study of the geometry and spectrum of the HSe2 radical

Sachchida N. Rai, Robert J. Buenker, Gerhard Hirsch

Journal:

Chemical Physics Letters

Année:

1990

Langue:

english

Fichier:

PDF, 370 KB

english, 1990

49

Electric dipole transition moments between the 2Σ+u and 2Σ+g states of the He+2 ion

Aristophanes Metropoulos, Yan Li, Gerhard Hirsch, Robert J. Buenker

Journal:

Chemical Physics Letters

Année:

1992

Langue:

english

Fichier:

PDF, 526 KB

english, 1992

50

Use of relativistic core potentials to compute potential curves and lifetimes of low-lying states of arsenic fluoride

Heinz-Peter Liehermann, Ihsan Boustani, Sachchida N. Rai, Aleksey B. Alekseyev, Gerhard Hirsch, Robert J. Buenker

Journal:

Chemical Physics Letters

Année:

1993

Langue:

english

Fichier:

PDF, 798 KB

english, 1993