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101

The bonding in the low-lying states of MgO+2

Mariona Sodupe, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 455 KB

english, 1993

102

A theoretical study of the spectroscopy of SrH2O+ and SrNH+3

Mariona Sodupe, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 576 KB

english, 1993

103

A study of the ground and low-lying states of MgCH+4

Charles W. Bauschlicher Jr., Mariona Sodupe

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 549 KB

english, 1993

104

The vibrational frequencies of CH2OH

Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 344 KB

english, 1993

105

Theoretical study of the NO b 4Σ− and O+2 b 4Σ−g radiative lifetimes

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

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 548 KB

english, 1993

106

A theoretical study of the electric dipole moment function of SiO

Stephen R. Langhoff, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 657 KB

english, 1993

107

Comment on “A MRCI PS and CASSCF study of the ground state MgO dissociation energy”

Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 491 KB

english, 1993

108

An accurate determination of the HO2 heat of formation

Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 482 KB

english, 1993

109

Ab initio potential energy surface for IHI−b. Simulation of IHI− photodetachment spectra

George C. Schatz, Scott Florance, Timothy J. Lee, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 570 KB

english, 1993

110

Theoretical study of the electronic states of MgC

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

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 597 KB

english, 1993

111

Theoretical dipole moment for the X 2Π state of NO

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

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 652 KB

english, 1994

112

Theoretical study of the nitric oxide ϵ and 11000 Å bands

Jeffrey A. Sheehy, Charles W. Bauschlicher Jr., Stephen R. Langhoff, Harry Partridge

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 721 KB

english, 1994

113

The low-lying electronic states of Mg2+

Alessandra Ricca, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 318 KB

english, 1994

114

The molecular structure of cis-FONO

Timothy J. Lee, Charles W. Bauschlicher Jr., Christopher E. Dateo, Julia E. Rice

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 405 KB

english, 1994

115

An ab initio study of HCuCO

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 358 KB

english, 1994

116

Cr2 revisited

Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 605 KB

english, 1994

117

Theoretical study of the low-lying states of MgN2+

Philippe Maitre, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 525 KB

english, 1994

118

On the interaction of CO and NH3 with BH3 and BF3

Charles W. Bauschlicher Jr., Alessandra Ricca

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 452 KB

english, 1995

119

The bond dissociation energies of 1-butene

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 458 KB

english, 1995

120

A study of the X 2Σ+ and A 2Π states of MgAr+ and MgKr+

Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 370 KB

english, 1995

121

The CH dissociation energy of C2H6

Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 429 KB

english, 1995

122

What is the structure of FeC5H6+?

Charles W. Bauschlicher Jr., Mariona Sodupe

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 659 KB

english, 1995

123

The low-lying electronic states of LiB

Alessandra Ricca, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 464 KB

english, 1995

124

The low-lying electronic states of LiC

Alessandra Ricca, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 448 KB

english, 1995

125

The MCH2+ systems: do ScCH2+ and TiCH2+ have Cs or C2v symmetry and a comparison of the B3LYP method to other approaches

Alessandra Ricca, Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 596 KB

english, 1995

126

A comparison of correlation-consistent and Pople-type basis sets

Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 461 KB

english, 1995

127

The dissociation energies of AlH2 and AlAr

Harry Partridge, Charles W. Bauschlicher Jr., Luuk Visscher

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 493 KB

english, 1995

128

On the ground state of MnCO−

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 387 KB

english, 1996

129

The sensitivity of B3LYP atomization energies to the basis set and a comparison of basis set requirements for CCSD(T) and B3LYP

Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 752 KB

english, 1995

130

The structure of dichromium tetraformate

Kerstin Andersson, Charles W. Bauschlicher Jr., B.Joakim Persson, Björn O. Roos

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 1006 KB

english, 1996

131

The electronic excited states of BN

Charles W. Bauschlicher Jr., Harry Partridge

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 600 KB

english, 1996

132

The B(H2)nH2 binding energies, for n = 0–3

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 588 KB

english, 1996

133

Ab initio electronic structure studies in molecular spectroscopy and chemical thermodynamics

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

Journal:

Computer Physics Communications

Year:

1994

Language:

english

File:

PDF, 1.45 MB

english, 1994

134

The spectroscopy of MnH

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

Journal:

Journal of Molecular Spectroscopy

Year:

1989

Language:

english

File:

PDF, 972 KB

english, 1989

135

Theoretical study of the Ogawa band system of NO

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

Journal:

Journal of Molecular Spectroscopy

Year:

1989

Language:

english

File:

PDF, 866 KB

english, 1989

136

Theoretical study of the spectroscopy of FeH

Stephen R Langhoff, Charles W Bauschlicher Jr.

Journal:

Journal of Molecular Spectroscopy

Year:

1990

Language:

english

File:

PDF, 1.12 MB

english, 1990

137

Molecular structure and properties of CH3BeF and CH3MgF

C.P. Baskin, C.F. Benedr, R.R. Lucchese, C.W. Bauschlicher Jr., H.F. Schaefer

Journal:

Journal of Molecular Structure

Year:

1976

Language:

english

File:

PDF, 586 KB

english, 1976

138

N2+ bound quartet and sextet state potential energy curves

Harry Partridge, Charles W. Bauschlicher Jr., James R. Stallcop

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Year:

1985

Language:

english

File:

PDF, 123 KB

english, 1985

139

Cluster calculations of hydrogen in the grain boundaries of nickel

B.N. Cox, C.W. Bauschlicher Jr.

Journal:

Surface Science Letters

Year:

1981

Language:

english

File:

PDF, 64 KB

english, 1981

140

Surface relaxation and induced stress accompanying the adsorption of H upon Be(0001)

B.N. Cox, C.W. Bauschlicher Jr.

Journal:

Surface Science Letters

Year:

1981

Language:

english

File:

PDF, 57 KB

english, 1981

141

A cluster model of the chemisorption of atomic Li, O and Na by the (111) surface of Al

B.N. Cox, C.W. Bauschlicher Jr.

Journal:

Surface Science Letters

Year:

1982

Language:

english

File:

PDF, 45 KB

english, 1982

142

Cluster properties: AB initio theoretical studies of alkali and alkaline-earth clusters

P.S. Bagus, C.J. Nelin, C.W. Bauschlicher Jr.

Journal:

Surface Science Letters

Year:

1985

Language:

english

File:

PDF, 88 KB

english, 1985

143

XCN, X = Ag, Cu and Ni, a model for CN on a metal surface

CharlesW. Bauschlicher Jr.

Journal:

Surface Science Letters

Year:

1985

Language:

english

File:

PDF, 50 KB

english, 1985

144

Chemisorption and the properties of metal clusters

Charles W. Bauschlicher Jr., Charles F. Bender, Henry F. Schaefer III, Paul S. Bagus

Journal:

Chemical Physics

Year:

1976

Language:

english

File:

PDF, 1012 KB

english, 1976

145

The effect of CO chemisorption on the metal surface; CO/Ni(100)

Charles W. Bauschlicher Jr., Constance J. Nelin

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.01 MB

english, 1986

146

On the uniqueness of the constrained space orbital variation (CSOV) technique

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 765 KB

english, 1986

147

Theoretical spectroscopic constants for the low-lying states of the oxides and sulfides of Mo and Tc

Stephen R. Langhoff, Charles W. Bauschlicher Jr., Lars G.M. Pettersson, Per E.M. Siegbahn

Journal:

Chemical Physics

Year:

1989

Language:

english

File:

PDF, 865 KB

english, 1989

148

The effect of impurities on the binding energy and structure of small Al and Be clusters

Lars G.M. Pettersson, Charles W. Bauschlicher Jr

Journal:

Chemical Physics

Year:

1989

Language:

english

File:

PDF, 1.02 MB

english, 1989

149

An ab initio study of the low-lying doublet states of AgO and AgS

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

Journal:

Chemical Physics

Year:

1990

Language:

english

File:

PDF, 1.10 MB

english, 1990

150

The photoelectron spectroscopy of ZnCl2

Charles W. Bauschlicher Jr., Marzio Rosi, Stephen R. Langhoff

Journal:

Chemical Physics

Year:

1990

Language:

english

File:

PDF, 703 KB

english, 1990