C. Rohlfing

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IN SITU ANALYSIS OF ASH DEPOSITS FROM BLACK LIQUOR COMBUSTION

P. Bernath, L. Baxter, S. Sinquefield, 1996 .

HARTREE-FOCK SYMMETRY-BREAKING IN MAGNESIUM AND NICKEL PORPHYRINS

C. Rohlfing, M. Piqueras, 1996 .

Microscopic evidence that the nitromethane aci ion is a rate controlling species in the detonation of liquid nitromethane

C. Rohlfing, R. Engelke, W. Earl, 1986 .

Multiphoton spectroscopy of Rydberg states of tetrachloroethylene

B. A. Williams, T. Cool, C. Rohlfing, 1990 .

Theoretical characterization of the lowest three potential surfaces of HNO. I. The potential for H atom addition to NO

C. Rohlfing, S. Walch, 1989 .

Proton and carbon-13 chemical shifts: Comparison between theory and experiment

R. Ditchfield, C. Rohlfing, L. C. Allen, 1984 .

Transition state structures and energetics using Gaussian‐2 theory

J. L. Durant, C. Rohlfing, 1993 .

Defective Buckyballs: Alternative Structural Isomers of C 60

K. Raghavachari, C. Rohlfing, 1992 .

A Theoretical Study of the Structural Isomers of Phosphaazarine

Ryan S. Winburn, M. Hoffmann, C. Rohlfing, 1996 .

Erratum: Theoretical characterization of the minimum energy path for the reaction H+O2→HO2*→HO+O [J. Chem. Phys. 88, 6273 (1988)]

C. Rohlfing, S. Walch, C. W. Bauschlicher, 1989 .

Proton chemical shift tensors in hydrogen‐bonded dimers of RCOOH and ROH

R. Ditchfield, C. Rohlfing, L. C. Allen, 1983 .

Structures and stabilities of sulfur clusters

K. Raghavachari, J. Binkley, C. Rohlfing, 1990 .

Molecular orbital studies on cyclic sulfur clusters: S6S12

K. Raghavachari, J. Binkley, C. Rohlfing, 1990 .

C60H4 : Kinetics and thermodynamics of multiple addition to C60

P. Cahill, R. Assink, C. Rohlfing, 1994 .

Theoretical characterization of the minimum energy path for hydrogen atom addition to N2: Implications for the unimolecular lifetime of HN2

C. Rohlfing, R. J. Duchovic, S. Walch, 1989 .

On correlation treatments of the nickel atom

C. Rohlfing, R. L. Martin, 1985 .

Experimental and theoretical characterization of the S1–S0 transition of benzo[a]pyrene

C. Gittins, C. Rohlfing, E. Rohlfing, 1996 .

Fast beam photodissociation spectroscopy and dynamics of the vinoxy radical

R. Bise, D. Neumark, C. Rohlfing, 1997 .

Proton chemical shift tensors in neutral and ionic OH⋯O hydrogen bonds

R. Ditchfield, C. Rohlfing, L. C. Allen, 1982 .

Ground state of C70O: oxygen bridging at the equatorial belt

K. Raghavachari, C. Rohlfing, 1992 .

Photodissociation spectroscopy and dynamics of the HCCO free radical

R. Bise, D. Neumark, C. Rohlfing, 1997 .

The Chemistry Graduate Student Experience: Findings from an ACS Survey

G. Richmond, C. Rohlfing, Priscilla Lewis, 2021, Journal of Chemical Education.

A study of the structure and bonding of small aluminum oxide clusters by photoelectron spectroscopy: AlxOy− (x=1–2, y=1–5)

Hongbin Wu, Lai‐Sheng Wang, Hongbin Wu, 1997 .

An effective core potential study of the mono‐ and tetracarbonyls of Ni, Pd, and Pt

P. Hay, C. Rohlfing, 1985 .

Disilene Addition to C 70

P. Cahill, C. Rohlfing, S. Jacobs, 1994 .

Extreme ultraviolet resist and mirror characterization: Studies with a laser plasma source

J. M. Zeigler, D. Windt, G. Kubiak, 1990 .

Bonding and stabilities of small silicon clusters: A theoretical study of Si7–Si10

Krishnan Raghavachari, K. Raghavachari, C. Rohlfing, 1988 .

Structures of Si10. Are there conventionally bonded low-energy isomers?

Krishnan Raghavachari, K. Raghavachari, C. Rohlfing, 1992 .

Electronic structures of the negative ions Si−2 –Si−10: Electron affinities of small silicon clusters

K. Raghavachari, C. Rohlfing, 1991 .

The structure of cis-butadiene

Timothy J. Lee, J. Rice, Bowen Liu, 1989 .

Theoretical characterization of the minimum energy path for the reaction H+O2→HO2*→HO+O

C. Rohlfing, S. Walch, C. W. Bauschlicher, 1988 .

Production of the nitromethane aci ion by UV irradiation: its effect on detonation sensitivity

C. Rohlfing, R. Engelke, W. Earl, 1986 .

A quantum chemical study of the isomers of bis(methano)fullerene, C60 (CH2)2

P. Cahill, C. Rohlfing, 1997 .

Resonant two-photon ionization spectroscopy of jet-cooled p-dichlorobenzene

C. Rohlfing, E. Rohlfing, 1989 .

Resonant Two-Photon Ionization Spectroscopy of Jet-Cooled p-Dichlorobenzene.

C. Rohlfing, E. Rohlfing, 1989 .

Calculation of the complete‐active‐space self‐consistent‐field potential‐energy surface, the dipole moment surfaces, the rotation–vibration energies, and the vibrational transition moments for C3(X̃ 1Σ+g)

P. Jensen, J. Almlöf, C. Rohlfing, 1992 .

The use of ab initio electronic structure energies in the semi-classical calculation of vibrational spectra

D. W. Noid, C. Rohlfing, M. Koszykowski, 1987 .

The structure of (H3O2)

H. Schlegel, C. Rohlfing, L. C. Allen, 1983 .

Theoretical studies of selected C60H2 and C70H2 isomers

P. Cahill, C. Rohlfing, C. Henderson, 1993 .

THEORETICAL STUDIES OF DERIVATIZED BUCKYBALLS AND BUCKYTUBES

P. Cahill, C. Rohlfing, 1996 .

SiC2: A molecular pinwheel

C. Rohlfing, E. Rohlfing, S. Ross, 1994 .

Comment on ``The nu 1+nu 3 combination mode of C3 in Ar and Kr matrices: Evidence for a bent structure'' [J. Chem. Phys. 99, 7371 (1993)]

P. J. Jensen, J. Almlöf, C. Rohlfing, 1994 .

Fragmentation of small silicon clusters

K. Raghavachari, C. Rohlfing, 1988 .

Theoretical Studies of Helium in Metals

W. G. Wolfer, J. B. Adams, C. Rohlfing, 1991 .

An ab initio study of geometries, polarizabilities, and rotation barriers of polyphenylsilane oligomers

J. V. Ortiz, C. Rohlfing, 1997 .

An effective core potential investigation of Ni, Pd, and Pt and their monohydrides

P. Hay, C. Rohlfing, R. L. Martin, 1986 .

Electronic structure and reactions of transition metal complexes using effective core potentials

P. Hay, C. Rohlfing, 1986 .

Importance of enolate anions in the high‐pressure kinetics of nitroalkanes and nitroaromatics

C. Rohlfing, R. Engelke, W. Earl, 1986 .

Production of the nitromethane aci ion by UV irradiation: its effect on detonation sensitivity

C. Rohlfing, R. Engelke, W. Earl, 1986 .

A theoretical study of HClO3 isomers

C. Rohlfing, 1995 .

Theoretical determination of the dipole moment of carbon monophosphide, CP(X 2Σ+)

J. Almlöf, C. Rohlfing, 1988 .

An extensive ab initio study of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2

Timothy J. Lee, J. Rice, C. Rohlfing, 1992 .

Microscopic Evidence That the Nitromethane Aci Ion Is a Rate Controlling Species in the Detonation of Liquid Nitromethane.

C. Rohlfing, R. Engelke, W. Earl, 1986 .

Theoretical characterization of the potential energy surface for H+O2→HO*2→HO+O. II. The potential for H atom exchange in HO2

C. Rohlfing, S. Walch, 1989 .

Electronic structures and photoelectron spectra of Si−3 and Si−4

K. Raghavachari, C. Rohlfing, 1992 .

A theoretical study of small silicon clusters using an effective core potential

K. Raghavachari, C. Rohlfing, 1990 .

Ab initio studies of substituted diamond-like carbon clusters

J. Almlöf, M. Feyereisen, C. Rohlfing, 1991 .

Equity for women and underrepresented minorities in STEM: Graduate experiences and career plans in chemistry

J. Stockard, G. Richmond, C. Rohlfing, 2021, Proceedings of the National Academy of Sciences.

Isomers of C78. Competition between electronic and steric factors

K. Raghavachari, C. Rohlfing, 1993 .

Imperfect fullerene structures: isomers of C60

Krishnan Raghavachari, K. Raghavachari, C. Rohlfing, 1992 .

Conformationally induced localization in the electronic structure of polysilanes

J. V. Ortiz, C. Rohlfing, 1993 .

A theoretical study of the isovalent diatomics carbon dimer, silicon dimer, and silicon monocarbide

C. Rohlfing, R. L. Martin, 1986 .

The structure and bonding of F2O2

P. Jeffrey Hay, P. Hay, C. Rohlfing, 1987 .

Comment on coupled cluster and MBPT study of nickel states

C. Rohlfing, 1986 .