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51

The dissociation energy of Cu2; Do we want to perform multi-reference singles and doubles cls on i%iany-electron systems?

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 438 KB

english, 1983

52

Theoretical study of the litium dimer and its anion

Harry Partridge, Charles W. Bauschlicher Jr., Per E.M. Siegbahn

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 456 KB

english, 1983

53

On the nature of the low-lying states of TiO

Charles W. Bauschlicher Jr., Paul S. Bagus, Constance J. Nelin

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 549 KB

english, 1983

54

Theoretical study of the dipole moment of oxygen monofluoride (OF)

Stephen R. Langhoff, Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 625 KB

english, 1983

55

CAS SCF Cl calculations for the 3Σ−g, 1Σ+g, 3Σ+u, and 5Δu states of Sc2

Stephen P. Walch, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 578 KB

english, 1983

56

On the low-lying states of tin

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 403 KB

english, 1983

57

On the electron affinity of Cu atom

Charles W. Bauschlicher Jr., Stephen P. Walch, Harry Partridge

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 397 KB

english, 1984

58

On the low-lying states of TiC

Charles W. Bauschlicher Jr., Per E.M. Siegbahn

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 527 KB

english, 1984

59

The dissociation energy of ionic molecules; Selected oxides and fluorides: LiO, LiF, BeO, BeF, MgF, CaF and SrF

Harry Partridge, Charles W. Bauschlicher Jr., Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 276 KB

english, 1984

60

On the choice of gaussian 4f functions for use in calculations on transition metal compounds

Stephen P. Walch, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 312 KB

english, 1984

61

On the dissociation energy of CaOH and LiOH

Charles W. Bauschlicher Jr, Harry Partridge

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 394 KB

english, 1984

62

The changes in small metal cluster size with adsorption: Be13Xn, X = H, O, S, Cl and F

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 322 KB

english, 1985

63

AB initio study of BeCN, MgCN, CaCN and BaCN

Charles W. Bauschlicher Jr., Stephen R. Langhoff, Harry Partridge

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 516 KB

english, 1985

64

On the similarity and differences for N2 and CO on Ni

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 572 KB

english, 1985

65

Tilted CO on metal surfaces; CO/Pt(110), CO/Ni(110) and CO/Cu(100)

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 516 KB

english, 1985

66

On the low-lying states of WO: A comparison with CrO and MoO

Constance J. Nelin, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 435 KB

english, 1985

67

The effect of an external electric field on the vibrational frequency of CO

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 327 KB

english, 1985

68

p(2 × 2) And c(2 × 2) coverages of Cl and F on Ni(100), a comparison with O and S on Ni(100)

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 491 KB

english, 1985

69

The dissociation energy of SrO

Harry Partridge, Stephen R. Langhoff, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 500 KB

english, 1985

70

The effect of bond functions on dissociation energies

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 378 KB

english, 1985

71

On the convergence of the cluster model for O/Ni(100)

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 539 KB

english, 1986

72

Theoretical study of the X2Π and A2Σ+ states of CUO and CUS

Stephen R. Langhoff, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 640 KB

english, 1986

73

Theoretical D0 for NH(X 3Σ−)

Charles W. Bauschlicher Jr., Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 505 KB

english, 1987

74

How important is correlation in the description of the Ni-H2O interaction

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 457 KB

english, 1987

75

Theoretical confirmation of a 4Δ ground state for FeH

Charles W. Bauschlicher Jr., Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 532 KB

english, 1988

76

On the interpretation of the photoelectron spectrum of NiCO−

Charles W. Bauschlicher Jr., Leslie A. Barnes, Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 522 KB

english, 1988

77

Theoretical study of the bonding in LaFe2+, LaRu2+ and YRu2+

Charles W. Bauschlicher Jr., Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 390 KB

english, 1989

78

A theoretical determination of the radiative lifetimes of the A 2Σ+ and B 2Δ states of CF

Alistair P. Rendell, Charles W. Bauschlicher Jr., Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 435 KB

english, 1989

79

On the electron affinity of Au3

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 369 KB

english, 1989

80

On the bonding in Mn2+

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 410 KB

english, 1989

81

On the electron affinities of the Ca, Sc, Ti and Y atoms

Charles W. Bauschlicher Jr., Stephen R. Langhoff, Peter R. Taylor

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 397 KB

english, 1989

82

On the bonding in Be22+

Charles W. Bauschlicher jr., Marzio Rosi

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 259 KB

english, 1989

83

Theoretical study of the CH bond dissociation energy of acetylene

Charles W. Bauschlicher Jr., Stephen R. Langhoff, Peter R. Taylor

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 612 KB

english, 1990

84

Theoretical study of the CH bond dissociation energy of C2H

Charles W. Bauschlicher Jr., Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 381 KB

english, 1990

85

Comparison of the bonding between ML+ and ML2+ (M=metal, L=noble gas)

Charles W. Bauschlicher Jr., Harry Partridge, Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 392 KB

english, 1990

86

Theoretical study of the positive ions of the dimers and trimers of the group IB metals (Cu, Ag, and Au)

Harry Partridge, Charles W. Bauschlicher Jr., Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 458 KB

english, 1990

87

Addendum to “on the bonding in Be22+”

Charles W. Bauschlicher Jr., Marzio Rosi

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 114 KB

english, 1990

88

Radiative lifetimes for the X 1Σ+ state of NO+

Harry Partridge, Stephen R. Langhoff, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 329 KB

english, 1990

89

On the bonding of La+ and La2+ to C2H2, C2H4, and C3H6

Marzio Rosi, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 556 KB

english, 1990

90

The computation of CC and NN bond dissociation energies for singly, doubly, and triply bonded systems

Stephen R. Langhoff, Charles W. Bauschlicher Jr., Peter R. Taylor

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 623 KB

english, 1991

91

Theoretical study of the CH bond dissociation energies of CH4, C2H2, C2H4, and H2C2O

Charles W. Bauschlicher Jr., Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 554 KB

english, 1991

92

Mg+ligand binding energies

Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 493 KB

english, 1991

93

The 2Σ+−2Π separation in KO

Charles W. Bauschlicher Jr., Harry Partridge, Kenneth G. Dyall

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 373 KB

english, 1992

94

The photoelectron spectroscopy of NiCl2

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 476 KB

english, 1992

95

A theoretical study of Mg(CO2)+n and Sr(CO2)+n for n = 1 and 2 and Mg2CO+2

Mariona Sodupe, Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 783 KB

english, 1992

96

Theoretical study of the bond dissociation energies of propyne (C3H4)

Charles W. Bauschlicher Jr., Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 553 KB

english, 1992

97

Theoretical study of the 2A22B2 separation of the alkali superoxides

Charles W. Bauschlicher Jr., Mariona Sodupe, Harry Partridge, Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 370 KB

english, 1992

98

Theoretical determination of the alkali-metal superoxide bond energies

Harry Partridge, Charles W. Bauschlicher Jr., Mariona Sodupe, Stephen R. Langhoff

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 459 KB

english, 1992

99

The bonding in FeC5H+5

Mariona Sodupe, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 348 KB

english, 1993

100

The ground and low-lying excited states of MgH2+

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 343 KB

english, 1993

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