1. S. T. Elbert, S. R. Langhoff and E. R. Davidson, ``Selection of Proper Canonical Orbitals. II. Water", J. Chem. Phys. 57, 2006 (1972).
2. S. R. Langhoff and E. R. Davidson, ``An Ab Initio Calculation of the Spin Dipole-Dipole Parameters for Methylene", Int. J. Quant. Chem. 7, 759 (1973).
3. S. R. Langhoff, S. T. Elbert and E. R. Davidson, ``A Configuration- Interaction Study of the Spin Dipole-Dipole Parameters for Formaldehyde and Methylene", Int. J. Quant. Chem. 7, 999 (1973).
4. S. R. Langhoff and E. R. Davidson, ``Configuration-Interaction Calculations on the Nitrogen Molecule", Int. J. Quant. Chem. 8, 61 (1974).
5. S. R. Langhoff, ``Ab Initio Evaluation of the Fine Structure of the Oxygen Molecule", J. Chem. Phys. 61, 3881 (1974).
6. S. R. Langhoff, ``The Spin-Orbit Contribution to the Fine Structure of the Oxygen Molecule", J. Chem. Phys. 61, 1708 (1974).
7. S. R. Langhoff, S. T. Elbert, C. F. Jackels, and E. R. Davidson, ``The ^1A_1 pi-->pi* State of Formalehyde", Chem. Phys. Letters 29, 247 (1974).
8. S. R. Langhoff, E. R. Davidson, M. Gouterman, W. R. Leenstra, and A. L. Kwiram, ``Zero Field Splitting of the Triplet State of Porphyrins II", J. Chem. Phys. 62, 169 (1975).
9. R. A Tawil and S. R. Langhoff, Average and Directional Compton Profiles for the N2, O2 and CH2O Molecules. I. Effects of Electron Correlation", J. Chem. Phys. 63, 1572 (1975).
10. S. R. Langhoff and R. A. Tawil, "Average and Directional Compton Profiles for the N2, O2, and CH2O Molecules. II. Anisotropy in the momentum Charge Distribution", J. Chem. Phys. 63, 2745 (1975).
11. S. R. Langhoff, E. R. Davidson and C. W. Kern, ``An Ab Initio Study of the Zero-Field Splitting Parameters of ^3B_1u benzene", J. Chem. Phys. 63, 4800 (1975).
12. S. R. Langhoff, ``Comment on the Zero-Field Splitting in the b^3Sigma_g^- State of C2 ", J. Chem. Phys. 64, 1245 (1976).
13. S. R. Langhoff and E. R. Davidson, ``Ab Initio Evaluation of the Fine Structure and Phosphorescent Lifetime of the ^3A_2(n-->pi*) State of Formaldehyde", J. Chem. Phys. 64, 4699 (1976).
14. G. D. Carney, L. A. Curtiss and S. R. Langhoff, ``Improved potential Functions for Bent AB2 Molecules: Water and Ozone", J. Mol. Spectrosc. 61, 371 (1976).
15. G. D. Carney, L. A. Curtiss and S. R. Langhoff, ``Vibrational Energies for Water Monomers and Dimers Containing Isotopically Scrambled Hydrogen, Deuterium and Tritium for use in Laser Isotope Separation Studies", Appl. Spectrosc. 30, 453 (1976).
16. G. D. Carney, S. R. Langhoff and L. A. Curtiss, ``Variational Calculations for Vibrational Properties of Ozone", J. Chem. Phys. 66, 3724 (1977).
17. S. R. Langhoff, M. L. Sink, R. H. Pritchard, C. W. Kern, S. J. Strickler, and M. J. Boyd, ``Ab Initio Study of Perturbations Between the X^1Sigma_g^+ and b^1Sigma_g^- States of the C2 Molecule", J. Chem. Phys. 67, 1051 (1977).
18. P. W. Langhoff, S. R. Langhoff and C. T. Corcoran, ``Photoabsorption in Formaldehyde", J. Chem. Phys. 67, 1722 (1977).
19. S. R. Langhoff and C. W. Kern, ``Molecular Fine Structure and Spectroscopy by Ab Initio Methods", Methods of Electronic Structure Theory, edited by H. F. Schaefer III (plenum, New York, 1977), Chapter X.
20. J. O. Arnold, E. E. Whiting and S. R. Langhoff, "MCSCF+CI Wave Functions and Properties of the X^2Pi and A^2Pi States of ClO", J. Chem. Phys. 66, 4459 (1977).
21. S. R. Langhoff, R. L. Jaffe and J. O. Arnold, ``Effective Cross Sections and Rate Constants for Predissociation of ClO in the Earth's Atmosphere", J. Quant. Spectrosc. Radiat. Transfer 18, 227 (1977).
22. S. R. Langhoff, J. P. Dix, L. L. Danylewych, R. W. Nicholls and J. O. Arnold, ``Theoretical Intensity Parameters for the Vibration-Rotation Bands of ClO", J. Chem. Phys. 67, 4306 (1977).
23. R. L. Jaffe and S. R. Langhoff, ``Theoretical Study of the Photodissociation Bands of HOCl", J. Chem. Phys. 68, 1638 (1978).
24. J. O. Arnold and S. R. Langhoff, ``A Theoretical Study of the Electronic Transition Moment for the C2 Swan Band System", J. Quant. Spectrosc. Radiat. Transfer 19, 461 (1978).
25. S. R. Langhoff and D. P. Chong, ``Semirigorous Bounds for the Dipole Moments and Transition Moments of the LiH Molecule", J. Chem. Phys. 69, 194 (1978).
26. D. P. Chong and S. R. Langhoff, ``Calculation of Vertical Ionization Potentials by Configuration Interaction", Chem. Phys. Letters 59, 397 (1978).
27. G. D. Zeiss, W. R. Scott, N. Suzuki, D. P. Chong and S. R. Langhoff, ``Finite-Field Calculations of Molecular Polarizabilities using Finite-Induced Polarization Functions: Second- and Third-order Perturbation Correlation Corrections to the Coupled Hartree-Fock Polarizability of H2O", J. Mol. Phys. 37, 1543 (1979).
28. S. R. Langhoff and J. O. Arnold, ``Theoretical Study of the X^1Sigma_g^+, A^1Pi, C^1Sigma^-, and E^1Sigma^+ States of the SiO Molecule", J. Chem. Phys. 70, 852 (1979).
29. S. R. Langhoff and R. L. Jaffe, ``Theoretical Study of the Four Lowest Doublet Electronic States of the Hydroperoxyl Radical: Application to Photodissociation", J. Chem. Phys. 71, 1475 (1979).
30. L. A. Curtiss, S. R. Langhoff and G. D. Carney, ``Ab Initio SCF and CI Calculations of the Dipole Moment Function of Ozone", J. Chem. Phys. 71, 5016 (1979).
31. E. R. Davidson, J. C. Ellenbogen and S. R. Langhoff, ``An Ab Initio Calculation of the Zero-Field Splitting Parameters of the ^3A_2 State of Formaldehyde", J. Chem. Phys. 73, 865 (1980).
32. S. R. Langhoff, ``Theoretical Treatment of the Spin-Orbit Coupling in the Rare Gas Oxides", J. Chem. Phys. 73, 2379 (1980).
33. D. M. Cooper and S. R. Langhoff, ``A Theoretical Study of Selected Singlet and Triplet States of the CO Molecule", J. Chem. Phys. 74, 1200 (1981).
34. S. R. Langhoff and D. P. Chong, ``Calculation of the Vertical Ionization Potentials of Oxygen Difluoride, Difluoroamine, and Difluoromethane by Configuration Interaction", Chem. Phys. 55, 355 (1981).
35. B. C. Laskowski, S. R. Langhoff and J. R. Stallcop, ``Theoretical Calculation of the Low-Lying States of NaAr and NaXe", J. Chem. Phys. 75, 815 (1981).
36. H. Partridge and S. R. Langhoff, ``Theoretical Treatment of the X^1Sigma^+, A^1Sigma^+, and B^1Pi States of LiH", J. Chem. Phys. 74, 2361 (1981).
37. H. Partridge, S. R. Langhoff, W. C. Stwalley and W. T. Zemke, ``Theoretical Study of the Dipole Moment Function of the A^1Sigma^+ State of LiH", J. Chem. Phys. 75, 2299 (1981).
38. S. R. Langhoff, E. F. Van Dishoeck, R. Wetmore and A. Dalgarno, ``Radiative Lifetimes and Dipole Moments of the A^2Sigma^+, B^2Sigma^+, and C^2Sigma^+ States of OH", J. Chem. Phys. 77, 1379 (1982).
39. D. P. Chong and S. R. Langhoff, ``Perturbation Corrections to Koopmans' Theorem. A Study with Large Basis Sets", Chem. Phys. 67, 153 (1982).
40. G. H. F. Diercksen, W. P. Kraemer, T. N. Rescigno, C. F. Bender, B. V. McKoy, S. R. Langhoff and P. W. Langhoff, ``Theoretical Studies of Photoexcitation and Ionization in H2O", J. Chem. Phys. 76, 1043 (1982).
41. S. R. Langhoff, W. M. Huo, H. Partridge and C. W. Bauschlicher, Jr., ``Theoretical Study of the Spin-Orbit Coupling Constants of the c(2p) ^3Pi_u, d(3p) ^3Pi_u, k(4p) ^3Pi_u, i(3d) ^3Pi_g, r(4d) ^3Pi_g, j(3d) ^3Delta_g, and (4f) ^3Delta_u States of H2", J. Chem. Phys. 77, 2498 (1982).
42. P. W. Langhoff, S. R. Langhoff, T. N. Rescigno, J. Schirmer, L. S. Cederbaum, W. Domcke and W. Von Niessen, ``Theoretical Studies of Inner-Valence-Shell Photoionization Cross Sections in N2 and CO", Chem. Phys. 58, 71 (1981).
43. S. R. Langhoff and D. P. Chong, ``Calculation of the Vertical Ionization Potentials of Oxygen Difluoride, Difluoroamine, and Difluoromethane by Perturbation Corrections to Koopmans' Theorem", Chem. Phys. Letters 86, 487 (1982).
44. B. C. Laskowski and S. R. Langhoff, ``Theoretical Determination of the X^1Sigma_g^+ Potential of Cs2 Using Relativistic Effective Core Potentials", Chem. Phys. Letters 92, 49 (1982).
45. S. R. Langhoff, M. L. Sink, R. H. Pritchard and C. W. Kern, ``Theoretical Determination of the Spin-Orbit Coupling in the X^2Pi State of OH", J. Mol. Spectros. 96, 200 (1982).
46. B. C. Laskowski, S. R. Langhoff and P. E. M. Siegbahn, ``Theoretical Determination of the X^2Sigma^+ and A^2Pi Potentials of CsO Using Relativistic Effective Core Potentials", Int. J. Quantum Chem. 23, 483 (1983).
47. J. H. Goebel, J. D. Bregman, D. M. Cooper, S. R. Langhoff, D. Goorvitch and F. C. Witteborn, ``The Observation of C2H and CN Delta v=-3 Bands in the Carbon Star HD 19557", Astrophys. J. 270, 190 (1983).
48. S. R. Langhoff, R. L. Jaffe and D. P. Chong, ``Use of Effective Core Potentials in Perturbation Corrections to Koopmans' Theorem: Vertical Ionization Potentials of Cl2, ClN3 and ClNCO", Int. J. Quantum Chem. 23, 875 (1983).
49. E. F. van Dishoeck, S. R. Langhoff and A. Dalgarno, ``The Low-lying ^2Sigma^- States of OH", J. Chem. Phys. 78, 4552 (1983).
50. H. Partridge, S. R. Langhoff, B. H. Lengsfield III and B. Liu, ``Theoretical Study of the AlO Blue-Green (B^2Sigma^+ --> X^2Sigma^+) Band System", J. Quant. Spectrosc. Radiat. Transfer 30, 449 (1983).
51. S. R. Langhoff, C. W. Bauschlicher, Jr. and D. P. Chong, ``Theoretical Study of the Effects of Vibrational-Rotational Interactions on the Raman Spectrum of N2" , J. Chem. Phys. 78, 5287 (1983).
52. A. R. W. McKellar, P. R. Bunker, T. J. Sears, K. M. Evenson, R. J. Saykally and S. R. Langhoff, ``Singlet-triplet Transitions, Singlet-triplet Perturbations and the Singlet-Triplet Splitting in Methylene CH2", J. Chem. Phys. 79, 5251 (1983).
53. P. R. Bunker and S. R. Langhoff, ``Ab initio Rotation-Vibration Transition Moments for CH2 in the X^3B_1 and a^1A_1 Electronic States", J. Mol. Spectrosc. 102, 204 (1983).
54. S. R. Langhoff and D. P. Chong, ``Calculation of Vertical Ionization Potentials of Chloroketene and Dichloroketene by Perturbation Corrections to Koopmans' Theorem Using an Effective Core Potential", Chem. Phys. Letters 100, 259 (1983).
55. D. P. Chong, N. P. C. Westwood and S. R. Langhoff, ``Methyl- and Dimethylketene: HeI Photoelectron Spectra and Vertical Ionization Potentials Calculated Using Perturbation Corrections to Koopmans' Theorem", J. Phys. Chem. 88, 1479 (1984).
56. S. R. Langhoff, R. L. Jaffe, J. H. Yee and A. Dalgarno, ``The Surface Glow of the Atmosphere Explorer C and E Satellites", Geophysical Research Letters 10, 896 (1983).
57. S. R. Langhoff and H. Partridge, ``Theoretical Study of the Lambda Doubling Parameters for X^2Pi OH", J. Mol. Sprectrosc. 105, 261 (1984).
58. S. R. Langhoff, C. W. Bauschlicher Jr. and H. Partridge, ``Theoretical Study of the Dipole Moment of Oxygen Monofluoride (OF)", Chem. Phys. Letters 102, 292 (1983).
59. M. R. Hermann, S. R. Langhoff and P. W. Langhoff, ``Experimental and Theoretical Studies of Photoionization in Nitric Oxide: Multiplet-Specific Spectral Shapes of (5sigma^-1) b^3Pi and (5sigma^-1) A^1Pi Partial Cross Sections, Chem. Phys. Letters 109, 150 (1984).
60. S. R. Langhoff, C. W. Bauschlicher Jr. and H. Partridge, ``On the Validity of the Lande Interval Rule in the Alkaline-earth Atoms", Int. J. Quantum. Chem. S18, 457 (1984).
61. C. W. Bauschlicher Jr., S. R. Langhoff, R. L. Jaffe and H. Partridge, ``Theoretical Electric Quadrupole Transition Probabilities for Ca, Sr and Ba", J. Phys. B:At. Mol. Phys. 17, L427 (1984).
62. S. R. Langhoff, C. W. Bauschlicher Jr. and H. Partridge, ``Theoretical Transition Probabilities Between the Lowest ^2S, ^2P and ^2D States of Na, K, Rb and Cs," J. Phys. B:At. Mol. Phys. 18, 13 (1985).
63. C. W. Bauschlicher, R. L. Jaffe, S. R. Langhoff, F. G. Mascarello and H. Partridge, ``Oscillator Strengths of Some Ba Lines: A Treatment Including Core-Valence Correlation and Relativistic Effects", J. Phys. B:At. Mol. Phys. 18, 2147 (1985).
64. C. W. Bauschlicher, S. R. Langhoff and H. Partridge, ``The Radiative Lifetime of the ^1D_2 State of Ca and Sr: A Core-Valence Treatment," J. Phys. B:At. Mol. Phys. 18, 1523 (1985).
65. H. Partridge, C. W. Bauschlicher Jr. and S. R. Langhoff, ``The Dissociation Energy of Ionic Molecules; Selected Oxides and Fluorides: LiO, LiF, BeO, BeF, MgF, CaF and SrF", Chem. Phys. Letters 109, 446 (1984).
66. C. W. Bauschlicher, S. R. Langhoff and H. Partridge, ``Ab Initio Study of BeCN, MgCN, CaCN and BaCN", Chem. Phys. Letters 115, 124 (1985).
67. S. M. Adler-Golden, S. R. Langhoff, C. W. Bauschlicher Jr. and G. D. Carney ``Theoretical Calculation of Ozone Vibrational Infrared Intensities", J. Chem. Phys. 83, 255 (1985).
68. J. R. Reimers, K. R. Wilson, E. J. Heller and S. R. Langhoff, ``CASSCF- Wave Packet Ab Initio Prediction of Electronic and Vibrational Spectra: Application to the A^2Pi-->X^2Sigma^+ Absorption of C2H at 3000K", J. Chem. Phys. 82, 5064 (1985).
69. S. R. Langhoff, C. W. Bauschlicher Jr. and H. Partridge, ``Theoretical Dissociation Energies for Ionic Molecules", ``Comparison of Ab Initio Quantum Chemistry with Experiment" Ed. by R. Bartlett, D. Reidel Publishing Co. Boston (1985).
70. C. W. Bauschlicher, S. R. Langhoff and H. Partridge, ``Ab initio Study of the Alkali and Alkaline-earth mono-hydroxides", J. Chem. Phys. 84, 901 (1986).
71. S. P. Walch, C. W. Bauschlicher, and S. R. Langhoff, ``Calculated Electric Dipole Moment of NiH X^2Delta state", J. Chem. Phys. 83, 5351 (1985).
72. S. R. Langhoff, C. W. Bauschlicher, and H. Partridge, ``Theoretical Dissociation Energies for the Alkali and Alkaline-earth Monofluorides and Monochlorides", J. Chem. Phys. 84, 1687 (1986).
73. H. Partridge, S. R. Langhoff, and C. W. Bauschlicher, ``The Dissociation Energy of SrO", Chem. Phys. Letters 121, 163 (1985).
74. C. W. Bauschlicher, S. R. Langhoff and H. Partridge, ``Molecular Structure Calculations on the CRAY XMP and CYBER 205 Supercomputers at NASA Ames", P. 75 in Proceedings of Supercomputer Simulations in Chemistry: Lecture Notes in Chemistry, vol. 44", ed. M. Dupuis, Springer-Verlag, Berlin, (1986).
75. C. W. Bauschlicher, S. P. Walch and S. R. Langhoff, ``The Importance of Atomic and Molecular Correlation on the Bonding in Transition Metal Compounds", p. 15, in ``Quantum Chemistry: the Challenge of Transition Metals and Coordination Chemistry", ed. A. Veillard, Reidel Publishing Company (1986).
76. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Study of the X^2Pi and A^2Sigma^+ States of CuO and CuS", Chem. Phys. Letters 124, 241 (1986).
77. C. W. Bauschlicher, and S. R. Langhoff, ``Theoretical Study of the Low-lying Electronic States of ZnO and ZnS", Chem. Phys. Letters 126, 163 (1986).
78. S. R. Langhoff and C. W. Bauschlicher, ``The Importance of Diffuse f Functions for Transition Metals", J. Chem. Phys. 84, 4485 (1986).
79. S. R. Langhoff, C. W. Bauschlicher, and H. Partridge, ``Theoretical Study of the Diatomic Alkali and Alkaline-earth Oxides", J. Chem. Phys. 84, 4474 (1986).
80. S. R. Langhoff, H. J. Werner and P. Rosmus, "Theoretical Study of the OH Meinel sSystem", J. Mol. Spectrosc. 118, 507 (1986).
81. S. R. Langhoff, C. W. Bauschlicher, H. Partridge and R. Ahlrichs, ``Theoretical Study of the Dipole Moments of Selected Alkaline-earth Halides", J. Chem. Phys. 84, 5025 (1986).
82. H. Partridge, S. R. Langhoff, and C. W. Bauschlicher, ``Ab initio Calculations on the Positive Ions of the Alkaline-earth Oxides, Fluorides and Hydroxides", J. Chem. Phys. 84, 4489 (1986).
83. D. P. Chong and S. R. Langhoff, ``A Modified Coupled Pair Functional Approach", J. Chem. Phys. 84, 5606 (1986).
84. L. G. M. Pettersson and S. R. Langhoff, ``Theoretical Electric Dipole Moments of SiH, GeH and SnH", Chem. Phys. Letters 125, 429 (1986).
85. H. Partridge, S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Study of the ^7Sigma^+ State of N2", J. Chem. Phys. 84, 6901 (1986).
86. C. W. Bauschlicher, S. R. Langhoff, P. R. Taylor and H. Partridge, ``A Full CI Treatment of Ne Atom- a Benchmark Calculation Performed on the NAS Cray 2", Chem. Phys. Letters 126, 436 (1986).
87. C. W. Bauschlicher, S. R. Langhoff, P. R. Taylor, N. C. Handy, and P. J. Knowles, ``Benchmark Full Configuration-interaction Calculations on HF and NH2", J. Chem. Phys. 85, 1469 (1986).
88. D. P. Chong, S. R. Langhoff, C. W. Bauschlicher and H. Partridge, ``Theoretical Dipole Moment Functions for the First-row Transition Metal Hydrides", J. Chem. Phys. 85, 2850 (1986).
89. L. G. M. Pettersson, S. R. Langhoff and D. P. Chong, "Theoretical Study of the Electric Dipole Moment Function of the ClO Molecule", J. Chem. Phys., 85, 2836 (1986).
90. C. W. Bauschlicher, S. R. Langhoff, H. Partridge, and P. R. Taylor, ``On the Electron Affinity of the Oxygen Atom", J. Chem. Phys. 85, 3407 (1986).
91. L. G. M. Pettersson and S. R. Langhoff, ``Theoretical Electric Dipole Moments and Dissociation Energies for the Ground States of GaH- BrH", J. Chem. Phys. 85, 3130 (1986).
92. S. R. Langhoff, C. W. Bauschlicher and H. Partridge, ``Theoretical Study of the X^1Sigma^+ States of the Alkali Hydrides NaH-CsH", J. Chem. Phys. 85, 5158 (1986).
93. C. W. Bauschlicher and S. R. Langhoff, ``Theoretical Studies of the Low-lying States of ScO, ScS, VO and VS", J. Chem. Phys. 85, 5936 (1986).
94. M. R. Hermann, S. R. Langhoff, T. J. Gil and P. W. Langhoff, ``Theoretical Studies of Photoionization in Nitric Oxide: Multiplet-Specific Effects in Vibrationally Resolved 5sigma^-1 Resonant Channels, Chem. Phys. Letters 125, 336 (1986).
95. M. R. Hermann, C. W. Bauschlicher, W. Huo, S. R. Langhoff and P. W. Langhoff, "Theoretical Studies of Valence-Shell Photoionization and Ionization Cross Sections in Nitric Oxide," Chem. Phys. 109, 1 (1986).
96. S. R. Langhoff, L. G. M. Pettersson, C. W. Bauschlicher and H. Partridge, ``Theoretical Spectroscopic Parameters for the Low-lying States of the Second-row Transition Metal Hydrides", J. Chem. Phys. 86, 268 (1987).
97. S. P. Walch, C. W. Bauschlicher, and S. R. Langhoff, ``Theoretical Studies of Diatomic and Triatomic Systems Containing the Group IB Atoms Cu, Ag and Au", J. Chem. Phys. 85, 5900 (1986).
98. S. R. Langhoff, C. W. Bauschlicher, S. P. Walch and B. C. Laskowski, ``Ab Initio Study of the Ground State Surface of Cu3", J. Chem. Phys. 85, 7211 (1986).
99. C. W. Bauschlicher, S. R. Langhoff, H. Partridge, and S. P. Walch, ``Mixed Cu-simple Metal Dimers and Trimers: CuLi, CuLi 2, CuNa, CuK, CuBe, CuBe2, Cu2Be, CuAl and CuAl2", J. Chem. Phys., 86, 5603 (1987).
100. L. G. M. Pettersson, C. W. Bauschlicher, S. R. Langhoff and H. Partridge, ``Positive Ions of the First- and Second-row Transition Metal Hydrides", J. Chem. Phys., 87, 481 (1987).
101. C. W. Bauschlicher and S. R. Langhoff, ``Theoretical D_0 for NH (X^3Sigma^-)", Chem. Phys. Letters 135, 67 (1987).
102. C. W. Bauschlicher and S. R. Langhoff, ``Full CI Benchmark Calculations on N2, NO and O2: a Comparison of Methods for Describing Multiple Bonds, J. Chem. Phys. 86, 5595 (1987).
103. S. R. Langhoff, C. W. Bauschlicher and P. R. Taylor, ``Theoretical Study of the Dipole Moment Function of OH(X^2Pi), J. Chem. Phys. 86, 6992 (1987).
104. C. W. Bauschlicher, H. Partridge, S. R. Langhoff, P. R. Taylor and S. P. Walch, ``Accurate Ab Initio Calculations which Demonstrate a ^3Pi_u ground state for Al2", J. Chem. Phys. 86, 7007 (1987).
105. S. R. Langhoff, C. W. Bauschlicher, and P. R. Taylor, ``Accurate Ab Initio Calculations for the Ground States of N2, O2 and F2", Chem. Phys. Lett. 135, 543 (1987).
106. C. W. Bauschlicher, S. R. Langhoff, and P. R. Taylor, ``On the ^1A_1-^3B_1 Separation in CH2 and SiH2", J. Chem. Phys. 87, 387 (1987).
107. C. W. Bauschlicher, and S. R. Langhoff, ``Ab Initio Calculations on C2, Si2 and SiC", J. Chem. Phys., 87, 2919 (1987).
108. C. W. Bauschlicher, S. R. Langhoff, H. Partridge, T. Halicioglu, and P. R. Taylor, ``Theoretical Approaches to Metal Chemistry", p. 16, in ``Supercomputer Research in Chemistry and Chemical Engineering" (Amer. Chem. Soc. Symposium Series No. 353) ed. D. G. Truhlar and K. F. Jensen, American Chemical Society, Washington (1987).
109. S. R. Langhoff, C. W. Bauschlicher, and H. Partridge, ``Theoretical Study of the N_2^+ Meinel System", J. Chem. Phys. 87, 4716 (1987).
110. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Determination of the Radiative Lifetime of the A^2Sigma^+ State of OH", J. Chem. Phys. 87, 4665 (1987).
111. C. W. Bauschlicher, and S. R. Langhoff, ``Full Configuration Interaction Benchmark Calculations for Transition Moments, Theor. Chim. Acta 73, 43 (1988).
112. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Study of the First and Second Negative Systems of N_2^+", J. Chem. Phys. 88, 329 (1988).
113. C. W. Bauschlicher, S. R. Langhoff, and P. R. Taylor, ``Theoretical Study of the Electron Affinities of Cu, Cu2 and Cu3", J. Chem. Phys. 88, 1041 (1988).
114. C. W. Bauschlicher and S. R. Langhoff, ``Theoretical Confirmation of a ^4Delta ground state for FeH", Chem. Phys. Lett. 145, 205 (1988).
115. H. Partridge, S. R. Langhoff, C. W. Bauschlicher, and D. W. Schwenke, ``Theoretical Study of the A'^5Sigma_g^+ and C''^5Pi_u States of N2: Implications for the N2 Afterglow", J. Chem. Phys. 88, 3174 (1988).
116. C. W. Bauschlicher, S. P. Walch, S. R. Langhoff, P. R. Taylor, and R. L. Jaffe, ``Theoretical Studies of the Potential Surface for the F + H2 --> HF + H Reaction", J. Chem. Phys. 88, 1743 (1988).
117. C. W. Bauschlicher, S. R. Langhoff, and P. R. Taylor, ``Core-core and Core-valence Correlation", J. Chem. Phys. 88, 2540 (1988).
118. S. R. Langhoff, C. W. Bauschlicher, and P. R. Taylor, ``Theoretical Studies of AlF, AlCl and AlBr", J. Chem. Phys. 88, 5715 (1988); erratum: 89, 7650 (1989).
119. S. R. Langhoff, C. W. Bauschlicher, and H. Partridge, ``Theoretical Study of the Scandium and Yttrium Halides", J. Chem. Phys. 89, 396 (1988); erratum: 89, 7649 (1989).
120. C. W. Bauschlicher, S. R. Langhoff and P. R. Taylor, ``Theoretical Study of the Dissociation Energy and the Red and Violet Band Systems of CN", Astrophys. J. 332, 531 (1988).
121. H. Partridge, S. R. Langhoff, and C. W. Bauschlicher, ``Theoretical Study of the Alkali and Alkaline-earth Monosulfides", J. Chem. Phys. 88, 6431 (1988).
122. C. W. Bauschlicher, S. R. Langhoff, H. Partridge and D. P. Chong, ``Theoretical Study of the Nitrogen Atom Hyperfine Coupling Constant", J. Chem. Phys. 89, 2985 (1988).
123. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Studies of the Monoxides and Monosulfides of Y, Zr and Nb", J. Chem. Phys. 89, 2160 (1988).
124. S. R. Langhoff, and C. W. Bauschlicher, ``Ab initio Studies of Transition Metal Systems", Ann. Rev. Phys. Chem. 39, 181 (1988).
125. C. W. Bauschlicher, and S. R. Langhoff, ``Full Configuration-interaction Benchmark Calculations for AlH", J. Chem. Phys. 89, 2116 (1988).
126. P. R. Taylor, C. W. Bauschlicher, and S. R. Langhoff, ``The ^2D Rydberg Series in Al I" J. Phys. B 21, L333 (1988).
127. C. W. Bauschlicher, L. A. Barnes, and S. R. Langhoff, ``On the Interpretation of the Photoelectron Spectrum of NiCO ^1Sigma^+", Chem. Phys. Lett. 151, 391 (1988).
128. S. R. Langhoff, C. W. Bauschlicher, and H. Partridge, ``Theoretical Study of the NO Gamma System" J. Chem. Phys. 89, 4909 (1988).
129. C. W. Bauschlicher and S. R. Langhoff, ``Full Configuration-interaction Study of the Ionic-neutral Curve Crossing in LiF", J. Chem. Phys. 89, 4246 (1988).
130. C. W. Bauschlicher, S. R. Langhoff, and L. G. M. Pettersson, ``The Computed Spectrum of AlC", J. Chem. Phys. 89, 5747 (1988).
131. S. R. Langhoff, C. W. Bauschlicher, and L. G. M. Pettersson, ``Theoretical Spectrum of AlN" J. Chem. Phys. 89, 7354 (1988).
132. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Study of the X^2Sigma^+ Dipole Moment Function of CN", Astrophys. J. 340, 620 (1989).
133. C. W. Bauschlicher, S. R. Langhoff, and P. R. Taylor ``Recent Advances in Electronic Structure Theory and Their Influence on the Accuracy of ab initio Potential Energy Surfaces", in Nato workshop entitled``Supercomputer algorithms for reactivity, dynamics, and kinetics of small molecules", ed. A. Laganà Kluwer Academic Publishers, Dordrecht, Holland p. 1 (1989).
134. E. R. Davidson and S. R. Langhoff, Citation Classic for ``Configuration Interaction Calculations on the Nitrogen Molecule", in Current Contents (Physical, Chemical and Earth Sciences p. 22, Vol. 28 No. 28 and Engineering, Technology and Applied Sciences p. 22, Vol. 19 No. 28).
135. S. R. Langhoff, C. W. Bauschlicher, L. G. M. Pettersson, and P. E. M. Siegbahn, ``Theoretical Spectroscopic Constants for the Low-lying States of the Oxides and Sulfides of Mo and Tc", Chem. Phys. 132, 49 (1989)
136. C. W. Bauschlicher, S. R. Langhoff and L. A. Barnes, ``Bonding in Zerovalent Ni Compounds: Ni(N2) and Ni(N2)_4 Compared with NiCO and Ni(CO)_4", Chem. Phys. 129, 431 (1989).
137. C. W. Bauschlicher, S. R. Langhoff and P. R. Taylor, ``On the Electron Affinities of the Ca, Sc, Ti and Y Atoms" Chem. Phys. Lett. 158, 245 (1989).
138. C. W. Bauschlicher, S. R. Langhoff, T. J. Lee and P. R. Taylor, ``The Effect of Higher than Double Excitations on the F+H2 --> FH+H Barrier", J. Chem. Phys. 90, 4296 (1989).
139. C. W. Bauschlicher, S. R. Langhoff, H. Partridge and L. A. Barnes, ``Theoretical Studies of the First- and Second-row Transition Metal Methyls and their Positive Ions", J. Chem. Phys. 91, 2399 (1989).
140. C. W. Bauschlicher and S. R. Langhoff, ``Theoretical Study of the Far-infrared A^3Sigma_g^- --> X^3Pi_u Transition in Al2 ", J. Chem. Phys. 90, 4627 (1989).
141. C. W. Bauschlicher and S. R. Langhoff, ``The Application of Ab Initio Calculations to Molecular Spectroscopy", Comments At. Mol. Phys. 23, 1 (1989).
142. D. M. Cooper, S. R. Langhoff and C. W. Bauschlicher, ``Computational Chemistry Determination of the Chemical and Physical Properties of Molecules", p. 13 in the Proceedings of the fourth international conference on supercomputing, International Supercomputing Institute, St. Petersburg (1989).
143. C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, ``Theoretical Study of the Electron Affinities of the Dimers and Trimers of the Group IB Metals (Cu, Ag, and Au)", J. Chem. Phys. 91, 2412 (1989).
144. T. C. Steimle, D. F. Nachman, J. E. Shirley, C. W. Bauschlicher, and S. R. Langhoff, ``The Permanent Electric Dipole Moment of Chromium Monoxide", J. Chem. Phys. 91, 2049 (1989).
145. C. W. Bauschlicher, S. R. Langhoff and P. R. Taylor, ``Accurate Quantum Chemical Calculations", Adv. Chem. Phys. 77, 103 (1990).
146. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Study of the Spectroscopy of ZrO", Ap. J. 349, 369 (1990).
147. C. W. Bauschlicher and S. R. Langhoff, ``Theoretical Study of NiAr+" Chem. Phys. Lett. 158, 409 (1989).
148. S. R. Langhoff, H. Partridge, and C. W. Bauschlicher, ``Theoretical Study of the Ogawa Band System of NO", J. Mol. Spectrosc. 138, 123 (1989).
149. S. R. Langhoff, C. W. Bauschlicher, and A. P. Rendell, "The Spectroscopy of MnH", J. Mol. Spectrosc. 138, 108 (1989).
150. C. W. Bauschlicher, and S. R. Langhoff, ``Theoretical Study of the Bonding in LaFe^2+, LaRu^2+ and YRu^2+", Chem. Phys. Lett. 161, 383 (1989).
151. C. W. Bauschlicher, H. Partridge and S. R. Langhoff, ``Theoretical Study of Metal Noble-gas Positive Ions" J. Chem. Phys. 91, 4733 (1989).
152. A. P. Rendell, C. W. Bauschlicher, and S. R. Langhoff, ``A Theoretical Determination of the Radiative Lifetimes of the A^2Sigma^+ and B^2Delta States of CF" Chem. Phys. Lett. 163, 354 (1989).
153. S. R. Langhoff, C. W. Bauschlicher and P. R. Taylor, ``Theoretical Study of the Dipole Moment Function of OH(X^2Pi)" J. Chem. Phys. 91, 5953 (1989).
154. C. W. Bauschlicher, H. Partridge and S. R. Langhoff, ``Comparison of the Bonding Between ML^+ and ML_2^+ (X=metal, L=noble gas)" Chem. Phys. Lett. 165, 272 (1990).
155. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Study of the Spectroscopy of Al2", J. Chem. Phys. 92, 1879 (1990).
156. S. R. Langhoff, C. W. Bauschlicher, A. P. Rendell and A. Komornicki, ``Theoretical Study of the Radiative Lifetime of the A^1Pi_u State of C2", J. Chem. Phys. 92, 6599 (1990).
157. C. W. Bauschlicher and S. R. Langhoff, Int. Rev. Phys. Chem., ``Theoretical Study of the Bonding in Molecular Transition Metal Cations" 9, 149 (1990).
158. D. P. Chong and S. R. Langhoff, ``Polarizabilities and Hyperpolarizabilities of Ne, HF, F2, and OH", J. Chem. Phys. 93, 570 (1990).
159. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Study of the Spectroscopy of FeH" J. Mol. Spectrosc. 141, 243 (1990).
160. C. W. Bauschlicher, H. Partridge, and S. R. Langhoff, ``An Ab Initio Study of the Low-lying Doublet States of AgO and AgS" Chem. Phys. 148, 57 (1990).
161. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Study of the A^3Sigma^- --> X^3Pi Transition in SiC" J. Chem. Phys. 93, 42 (1990).
162. C. W. Bauschlicher, S. R. Langhoff, T. C. Steimle and D. F. Nachman, `The Permanent Electric Dipole Moment of CaOH" J. Chem. Phys. 93, 4179 (1990).
163. H. Partridge, C. W. Bauschlicher, and S. R. Langhoff, ``Theoretical Study of the ^6Sigma^+, ^6Pi, and ^4Sigma^+ Van Der Waals States of NO", Theoret. Chim. Acta 77, 323 (1990).
164. C. W. Bauschlicher and S. R. Langhoff, ``Transition-Metal Hydrides: Structure and Bonding", p. 103 in Transition Metal Hydrides, ed. A. Dedieu, VCH publishers, New York (1992).
165. C. W. Bauschlicher, S. R. Langhoff, and P. R. Taylor, ``On the Dissociation Energy of BH", J. Chem. Phys. 93, 502 (1990).
166. C. W. Bauschlicher, S. R. Langhoff, and A. Komornicki, ``The Calculation of the Dipole Moments of NiH, TiO and FeO", Theor. Chim. Acta. 77, 263 (1990).
167. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Study of the Spectroscopy of Niobium Nitride", J. Mol. Spectrosc. 143, 169 (1990).
168. M. Rosi, C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, ``Theoretical Studies of the First- and Second-row Transition Metal Dimethyls and their Positive Ions", J. Phys. Chem. 94, 8656 (1990).
169. C. W. Bauschlicher and S. R. Langhoff, ``Theoretical Study of the Bonding of Sc, Y, and La Singly Charged and Dipositive Ions to C2H2, C2H4, and C3H6", J. Phys. Chem. 95, 2278 (1991).
170. C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, ``A Reevaluation of the H3 Potential" Chem. Phys. Lett. 170, 345 (1990).
171. C. W. Bauschlicher, S. R. Langhoff, and P. R. Taylor, ``Theoretical Study of the C-H Bond Dissociation Eenergy of Acetylene" Chem. Phys. Lett. 171, 42 (1990).
172. H. Partridge, S. R. Langhoff, and C. W. Bauschlicher, ``Radiative Lifetimes for the X^1Sigma^+ state of NO^+ " Chem. Phys. Lett. 170, 13 (1990).
173. C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, ``Binding Energies and Ionization Potentials of the Tetramers of Cu, Ag, and Au", J. Phys. Chem. 94, 8378 (1990).
174. C. W. Bauschlicher, M. Rosi, and S. R. Langhoff, ``The Photoelectron Spectroscopy of ZnCl2", Chem. Phys. 146, 237 (1990).
175. H. Partridge, S. R. Langhoff, and C. W. Bauschlicher, ``Theoretical Study of the Spectroscopy of NO^+", J. Chem. Phys. 93, 7179 (1990).
176. C. W. Bauschlicher and S. R. Langhoff, ``Theoretical study of the C-H bond dissociation energy of C2H", Chem. Phys. Lett. 173, 367 (1990).
177. C. W. Bauschlicher and S. R. Langhoff, ``A Comparison of Computing an Electronic Tansition Moment in the Length Versus the Velocity Representation", Theor. Chim. Acta 79, 93 (1991).
178. H. Partridge, C. W. Bauschlicher, and S. R. Langhoff, ``Theoretical Study of the Positive Ions of the Dimers and Trimers of the Group IB Metals (Cu, Ag, and Au)", Chem. Phys. Lett. 175, 531 (1990).
179. C. W. Bauschlicher, S. R. Langhoff and H. Partridge, ``Theoretical Study of the Homonuclear Tetramers and Pentamers of the Group IB Metals (Cu, Ag, and Au)" J. Chem. Phys. 93, 8133 (1990).
180. L. M. Roth, B. S. Frieser, C. W. Bauschlicher, H. Partridge, and S. R. Langhoff, ``Heteronuclear Diatomic Metal Cluster Ions in the Gas Phase: Theoretical Treatment of MgFe^+ and Study of its Reactions with Hydrocarbons" J. Am. Chem. Soc. 113, 3274 (1991).
181. S. R. Langhoff, H. Partridge, and C. W. Bauschlicher, ``Theoretical Study of the Spectroscopy of the Alkali Oxides LiO-KO" Chem. Phys. 153, 1 (1991).
182. C. W. Bauschlicher and S. R. Langhoff, ``Theoretical Study of the C-H Bond Dissociation Energies of CH4, C2H2, C2H4, and C2H2O", Chem. Phys. Lett. 177, 133 (1991).
183. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Study of the Spectroscopy of FeH^+" Ap. J. 375, 843 (1991).
184. C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, ``The binding Energies of Cu^+-(H2O)_n and Cu^+-(NH3)_n (n =1-4)" J. Chem. Phys. 94, 2068 (1991).
185. M. Rosi, C. W. Bauschlicher, and S. R. Langhoff, ``Theoretical Study of the Spectroscopy of Al_2^+", Chem. Phys. 151, 1 (1991).
186. D. P. Chong, S. R. Langhoff and C. W. Bauschlicher, Jr., ``Theoretical Study of the Hyperfine Parameters of OH", J. Chem. Phys. 94, 3700 (1991).
187. C. W. Bauschlicher and S. R. Langhoff, ``The Study of Molecular Spectroscopy by Ab Initio Methods" Chem. Rev. 91, 701 (1991).
188. W. T. Zemke, W. C. Stwalley, S. R. Langhoff, G. L. Valderma, and M. J. Berry, ``Radiative Transition Probabilities for all Vibrational Levels in the X^1Sigma^+ State of HF", J. Phys. Chem. 95, 7846 (1991).
189. C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, ``Theoretical Study of the Bonding of Nb^2+ to CH2, C2H2, and C2H4" J. Phys. Chem. 95, 6191 (1991).
190. S. R. Langhoff, H. Partridge, C. W. Bauschlicher, and A. Komornicki, ``Theoretical Study of the NO Beta System" J. Chem. Phys. 94, 6638 (1991).
191. S. R. Langhoff, C. W. Bauschlicher, and P. R. Taylor, ``The Computation of C-C and N-N Bond Dissociation Energies for Singly, Doubly, and Triply Bonded Systems", Chem. Phys. Lett. 180, 88 (1991).
192. C. W. Bauschlicher, H. Partridge, S. R. Langhoff, and M. Rosi, ``A Theoretical Study of the Low-lying States of Ti2 and Zr2" J. Chem. Phys. 95, 1057 (1991).
193. S. R. Langhoff and C. W. Bauschlicher, ``Theoretical Study of the Spectroscopy of B2" J. Chem. Phys. 95, 5882 (1991).
194. C. W. Bauschlicher, S. R. Langhoff, and H. Partridge ``Theoretical Study of the BeLi, BeNa, MgLi, MgNa, and AlBe Molecules and their Negative Ions" J. Chem. Phys. 96, 1240 (1992).
195. C. W. Bauschlicher, S. R. Langhoff, H. Partridge, J. E. Rice, and A. Komornicki, ``A Theoretical Study of Na(H2O)_n^+ (n=1-4)" J. Chem. Phys. 95, 5142 (1991).
196. S. R. Langhoff, C. W. Bauschlicher, H. Partridge, and M. Sodupe, ``Theoretical Study of One and Two Ammonia Molecules Bound to the First-row Transition Metal Ions", J. Phys. Chem. 95, 10677 (1991).
197. H. Partridge, C. W. Bauschlicher, S. R. Langhoff, and P. R. Taylor ``Theoretical Study of the Low-lying Bound States of O2", J. Chem. Phys. 95, 8292 (1991).
198. C. W. Bauschlicher, S. R. Langhoff, and S. P. Walch, ``Theoretical Study of the Bond Dissociation Energies of Methanol" J. Chem. Phys. 96, 450 (1992)
199. C. W. Bauschlicher and S. R. Langhoff, ``The Bonding in Metal Systems with Multiple Ligands" "Gas-Phase Metals Reactions" p. 277, ed. A. Fontijn, Elsevier, Amsterdam (1992).
200. C. W. Bauschlicher and S. R. Langhoff, ``Quantum Mechanical Calculations to Chemical Accuracy", Science 254, 394 (1991).
201. M. Sodupe, C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, ``Theoretical Study of the Bonding of the First-row Transition Metal Positive Ions to Ethylene", J. Phys. Chem. 96, 2118 (1992).
202. C. W. Bauschlicher, H. Partridge, and S. R. Langhoff, ``Theoretical Study of Cr^+ and Co^+ Bound to H2 and N2", J. Phys. Chem. 96, 2475 (1992).
203. H. Partridge, C. W. Bauschlicher, and S. R. Langhoff, ``Theoretical Study of Metal Ions Bound to He, Ne, and Ar", J. Phys. Chem. 96, 5350 (1992).
204. C. W. Bauschlicher, H. Partridge, and S. R. Langhoff, ``Theoretical Study of Transition Metal Ions Bound to Benzene", J. Phys. Chem. 96, 3273 (1992).
205. H. Partridge, C. W. Bauschlicher, M. Sodupe, and S. R. Langhoff, ``Comment on `An Ab Initio Study of the Ionization of Sodium Superoxide' ", J. Chem. Phys. 96, 7871 (1992).
206. C. W. Bauschlicher and S. R. Langhoff, ``Theoretical Study of the Bond Dissociation Energies of Propyne (C3H4)", Chem. Phys. Lett. 193, 380 (1992).
207. C. W. Bauschlicher, H. Partridge, J. A. Sheehy, S. R. Langhoff, and M. Rosi, ``Theoretical Study of the Bonding of the First- and Second-row Transition Metal Positive Ions to Methylene", J. Phys. Chem. 96, 6969 (1992).
208. H. Partridge, C. W. Bauschlicher, M. Sodupe and S. R. Langhoff, ``Theoretical Determination of the Alkali-metal Superoxide Bond Energies", Chem. Phys. Lett. 195, 200 (1992).
209. C. W. Bauschlicher, H. Partridge, and S. R. Langhoff, ``Comparative Study of the Dissociation Energies of Ni2 and Ni2^+", Chem. Phys. Lett. 195, 360 (1992).
210. J. R. Stallcop, C. W. Bauschlicher, H. Partridge, S. R. Langhoff, and E. Levin, ``Theoretical Study of Hydrogen and Nitrogen Interactions: N-H Transport Cross Sections and Collision Integrals", J. Chem. Phys. 97, 5578 (1992).
211. C. W. Bauschlicher, H. Partridge, and S. R. Langhoff, ``The Calculation of Accurate Metal-ligand Bond Dissociation Energies" p.165 ``Advances in Metal and Semiconductor Clusters" Ed. M. A. Duncan, JAI Press, Inc. Greenwich (1994).
212. C. W. Bauschlicher, H. Partridge, M. Sodupe, and S. R. Langhoff, ``Theoretical Study of the Alkaline-earth Superoxides BeO2 through SrO2", J. Phys. Chem. 96, 9259 (1992).
213. C. W. Bauschlicher, M. Sodupe, H. Partridge, and S. R. Langhoff, ``Theoretical Study of the ^2A_2 -- ^2B_2 Separation of the Alkali Superoxides", Chem. Phys. Lett. 197, 213 (1992).
214. C. W. Bauschlicher, S. R. Langhoff, H. Partridge, and M. Sodupe ``A Determination of the Ni-O2 and Cu-O2 Bond Energies", J. Phys. Chem. 97, 856 (1993).
215. C. W. Bauschlicher, S. R. Langhoff, and H. Partridge ``Theoretical Study of the Lowest ^5Pi and ^5Sigma States of CO", J. Chem. Phys. 98, 8785 (1993).
216. S. R. Langhoff and C. W. Bauschlicher, ``A Theoretical Study of the Electric Dipole Moment Function of SiO", Chem. Phys. Lett. 211, 305 (1993).
217. C. W. Bauschlicher, H. Partridge, and S. R. Langhoff ``Theoretical Study of the NO b^4Sigma^- and O_2^+ b^4Sigma_g^- Radiative Lifetimes", Chem. Phys. Lett. 211, 312 (1993).
218. C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, ``The Low-lying States of AlCu and AlAg", J. Chem. Phys. 100, 1219 (1994).
219. C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, ``The Application of Ab Initio Electronic Structure Calculations to Molecules Containing Transition Metal Atoms", ``Modern Electronic Structure Theory" Ed. D. R. Yarkony, (World Scientific Publishing Company Co, London 1995).
220. ``Computational Approaches to Determining Accurate Band Strengths" S. R. Langhoff and C. W. Bauschlicher, p. yy in ``Proceedings of the IAU Colloquium 146: Molecular Opacities in the Stellar Environment", Ed. U. G. Jorgenson, Springer-Verlag, Berlin (1993).
221. ``Theoretical Study of the Electronic States of MgC", C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, Chem. Phys. Lett., 216, 341 (1993).
222. ``Ab Initio Electronic Structure Studies in Molecular Spectroscopy and Chemical Thermodynamics", H. Partridge, C. W. Bauschlicher, and S. R. Langhoff, Computer Phys. Comm. 78, 223 (1994).
223. C. W. Bauschlicher and S. R. Langhoff, ``Theoretical Study of the Electronic States of AlB", J. Chem. Phys. 101, 80 (1994).
224. S. R. Langhoff, C. W. Bauschlicher, and H. Partridge, ``Theoretical Dipole Moment for the X^2Pi State of NO" Chem. Phys. Lett. 223, 413 (1994).
225. C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, ``A Redetermination of the Dissociation Energy of MgO^+", J. Chem. Phys. 101, 2644 (1994).
226. J. A. Sheehy, C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, ``Theoretical Study of the Nitric Oxide Epsilon and 11000 Å Bands", Chem. Phys. Lett. 225, 221 (1994).
227. ``Electronic Spectroscopy of Diatomic Molecules" H. Partridge, S. R. Langhoff, C. W. Bauschlicher, p. 209 in ``Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy" (Understanding Chemical Reactivity, Vol. 13) Ed. S. R. Langhoff, (Kluwer Academic Publishers, Dordrecht 1995).
228. ``Global Dipole Moment Function for the X^1Sigma^+ Ground State of CO" S. R. Langhoff and C. W. Bauschlicher, J. Chem. Phys. 102, 5220 (1995).
229. ``Ab Initio Calculations Applied to Problems in Metal Ion Chemistry" C. W. Bauschlicher, S. R. Langhoff, and H. Partridge, p. 47-87 in ``Organometallic Ion Chemistry" (Understanding Chemical Reactivity, Vol. 15) Ed. B. S. Freiser, Kluwer Academic Publishers, Dordrecht (1996).
230. S. R. Langhoff, ``Theoretical Infrared Spectra for Polycyclic Aromatic Hydrocarbon Neutrals, Cations and Anions", J. Phys. Chem. 100, 2819 (1996).
231. ``Chemistry by Density Functional Theory", C. W. Bauschlicher, A. Ricca, H. Partridge, and S. R. Langhoff ``DFT book", Ed. D. P. Chong, p.165 in (World Scientific Publishing Company, Singapore 1997).
232. {S. R. Langhoff, Theoretical Study of the Spectroscopy of TiO", Astrophys. J., 481 , 1007 (1997)
233. ``Determination of Opacity Data Bases for TiO and H2O", S. R. Langhoff, D. W. Schwenke, and H. Partridge, ``IAU178 symposium", Ed. E. van Dishoeck p.295 in (Kluwer Academic Publishers, Dordrecht (1997).
234. ``Infrared spectra of perdeuterated naphthalene, phenanthrene, chrysene, and pyrene", C. W. Bauschlicher, S. R. Langhoff, S. A. Sandford, and D. M. Hudgins, J. Phys. Chem. 101 , 2414 (1997).
235. ``The Calculation of Accurate Harmonic Frequencies of Large Molecules: the Polycyclic Aromatic Hydrocarbons, a Case Study", C. W. Bauschlicher and S. R. Langhoff, Spectrochim Acta A 53 , 1225 (1997).
236. ``Infrared Spectra of Substituted Polycyclic Aromatic Hydrocarbons", S. R. Langhoff, C. W. Bauschlicher, Jr. D. M. Hudgins, S. A. Sanford, and L. J. Allamandola, J. Phys. Chem. A 102 , 1632 (1998).
237. ``Bond Dissociation Energies for Substituted Polycylic Aromatic Hydrocarbons and Their Cations", C. W. Bauschlicher, Jr. and S. R. Langhoff, Mol. Phys. 96 , 471 (1999).
238. ``Infrared Spectra of Polycyclic Aromatic Hydrocarbons: Methyl Substitution and Loss of H", C. W. Bauschlicher, Jr. and S. R. Langhoff, Chem. Phys. 234 , 79 (1998).
239. "Carbon chain abundance in the diffuse interstellar medium", L. J. Allamandola, D. M. Hudgins, C. W. Bauschlicher, and S. R. Langhoff, Astron. Astrophys. 352 , 659 (1999).