Publications

Infrared absorption spectra of partially deuterated methoxy radicals CH2DO and CHD2O isolated in solid para-hydrogen

Infrared-Enhanced Fluorescence-Gain Spectroscopy: Conformation-Specific Excited-State Infrared Spectra of Alkylbenzenes

Assigning the low lying vibronic states of CH3O and CD3O

Identifying the first folded alkylbenzene via ultraviolet, infrared, and Raman spectroscopy of pentylbenzene through decylbenzene

Infrared laser spectroscopy of the n-propyl and i-propyl radicals: Stretch-bend Fermi coupling in the alkyl CH stretch region

Conformation-specific spectroscopy of alkyl benzyl radicals: Effects of a radical center on the CH stretch infrared spectrum of an alkyl chain

Anharmonic modeling of the conformation-specific IR spectra of ethyl,n-propyl, and n-butylbenzene

Modeling the CH Stretch Vibrational Spectroscopy of M+ [Cyclohexane](M= Li, Na, and K) Ions

Local Mode Approach to OH Stretch Spectra of Benzene–(H2O)n Clusters, n = 2–7

The Competition Between Insertion and Surface Binding of Benzene to the Water Heptamer

Isomer-Specific Spectroscopy of Benzene–(H2O) n, n= 6, 7: Benzene’s Role in Reshaping Water’s Three-Dimensional Networks

Infrared absorption of CH3O and CD3O radicals isolated in solid para-H2

Tunneling splittings in formic acid dimer: An adiabatic approximation to the Herring formula

A perturbative description of non-adiabatic effects in methoxy vibrations

Fermi resonance effects in the vibrational spectroscopy of methyl and methoxy groups

Ground and excited state infrared spectroscopy of jet-cooled radicals: Exploring the photophysics of trihydronaphthyl and inden-2-ylmethyl

A first-principles model of Fermi resonance in the alkyl CH stretch region: Application to hydronaphthalenes, indanes, and cyclohexane

Vibrational relaxation of chloroiodomethane in cold argon

Dressed local mode Hamiltonians for CH stretch vibrations

Ground State Conformational Preferences and CH Stretch–Bend Coupling in a Model Alkoxy Chain: 1, 2-Diphenoxyethane

Towards a first-principles model of Fermi resonance in the alkyl CH stretch region: Application to 1, 2-diphenylethane and 2, 2, 2-paracyclophane

Infrared Spectra at a Conical Intersection: Vibrations of Methoxy

Surface hopping simulation of vibrational predissociation of methanol dimer

Local-Mode Approach to Modeling Multidimensional Infrared Spectra of Metal Carbonyls

Diagonal matrix elements in a scar function basis set

Fully and Partially Coherent Pathways in Multiply Enhanced Odd-Order Wave-Mixing Spectroscopy

Vibrational dynamics around the conical intersection: a study of methoxy vibrations on the (X)over-tilde(2)E surface

How Do Hydrogen Bonds Break in Small Alcohol Oligomers?

The effects of asymmetric motions on the tunneling splittings in formic acid dimer

Elucidating energy disposal pathways following excitation of the symmetric OH stretching band in formic acid dimer

An equilibrium focused approach to calculating the Raman spectrum of the symmetric OH stretch in formic acid dimer

Symmetric double proton tunneling in formic acid dimer: A diabatic basis approach

Vibrational energy relaxation of the bend fundamental of dilute water in liquid chloroform and d-chloroform

Vibrational Relaxation of OH and CH Fundamentals of Polar and Nonpolar Molecules in the Condensed Phase

Combination of perturbative and variational methods for calculating molecular spectra: Calculation of the v=3-5 CH stretch overtone spectrum of CHF3 – art. no. 114307

Fluorescence-dip IR spectra of jet-cooled benzoic acid dimer in its ground and first excited singlet states

Molecular vibrational energy flow and dilution factors in an anharmonic state space – art. no. 024317

Relaxation of the CH stretch in liquid CHBr3: Solvent effects and decay rates using classical nonequilibrium simulations

Time scales and pathways of vibrational energy relaxation in liquid CHBr3 and CDBr3

Vibrational relaxation of the CH stretch fundamental in liquid CHBr3

Anharmonic force field and vibrational frequencies of tetrafluoromethane (CF4) and tetrafluorosilane (SiF4)

Anharmonic force field, vibrational energies, and barrier to inversion of SiH3

Exact vibration-rotation kinetic energy operators in two sets of valence coordinates for centrally connected penta-atomic molecules

Investigation of the vibrational dynamics of the HCN/CNH isomers through high order canonical perturbation theory

A nine-dimensional high order perturbative study of the vibration of silane and its isotopomers

The methyl radical plus hydrogen recombination reaction: A critical test of SACM theory via wavepacket dynamics

A nine-dimensional perturbative treatment of the vibrations of methane and its isotopomers

A perturbative treatment of classical vibrational-translational energy transfer in collinear collisions of an atom and a diatomic molecule

The effect of nonadiabatic coupling on the calculation of N(E,J) for the methane association reaction

The effectiveness of Newton’s method for improving ab initio force fields with applications to CO2 and H2CO

http://sibert.chem.wisc.edu/content/coupled-cluster-anharmonic-force-fields-spectroscopic-constants-and-vibrational-energies

Derivation of rotation-vibration Hamiltonians that satisfy the Casimir condition

Distributed Gaussian polynomials and associated Gaussian quadratures

A time dependent view of the statistics of spectral intensities

Trigonometric discrete variable representations

An accurate quartic force field for formaldehyde

The bending dynamics of acetylene

Quantum, semiclassical and classical dynamics of the bending modes of acetylene

INTENSITIES OF FORBIDDEN PURE TORSIONAL BANDS IN S-1-S-0 SPECTRA OF TOLUENES

INVESTIGATING OPTIMAL COORDINATES FOR DESCRIBING VIBRATIONAL MOTION

A RANDOM-MATRIX APPROACH TO ROTATION-VIBRATION MIXING OF HIGHLY EXCITED-STATES

HIGHLY EXCITED VIBRATIONAL-STATES OF ACETYLENE – A VARIATIONAL CALCULATION

NORMAL-MODES ANALYSIS OF (A)OVER-TILDE-STATE ACETYLENE BASED ON DIRECTLY OBSERVED FUNDAMENTAL VIBRATIONS

A RANDOM MATRIX APPROACH TO ROTATION VIBRATION MIXING IN H2CO AND D2CO

AN ALGEBRAIC APPROACH TO CALCULATING ROTATION VIBRATION-SPECTRA OF POLYATOMIC-MOLECULES

DETERMINING POTENTIAL-ENERGY SURFACES FROM SPECTRA – AN ITERATIVE APPROACH

EXTRACTING POTENTIAL SURFACES FROM SPECTRA OF HIGHLY VIBRATIONALLY EXCITED-STATES OF POLYATOMIC-MOLECULES

INVESTIGATING HIGHLY EXCITED VIBRATIONALLY STATES OF ACETYLENE

CALCULATION OF INFRARED INTENSITIES OF HIGHLY EXCITED VIBRATIONAL-STATES OF HCN USING VANVLECK PERTURBATION-THEORY

COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELD POTENTIAL-ENERGY SURFACES, DIPOLE-MOMENT FUNCTIONS, AND SPECTROSCOPIC PROPERTIES OF O-3, CF2, NO2-, AND NF2+

PERTURBATIVE CALCULATIONS OF VIBRATIONAL (J=0) ENERGY-LEVELS OF LINEAR-MOLECULES IN NORMAL COORDINATE REPRESENTATIONS

ROTATION VIBRATION INTERACTIONS IN HIGHLY EXCITED-STATES OF SO2 AND H2CO

THEORY OF VIBRATIONALLY MEDIATED PHOTODISSOCIATION OF HOOH – DELOCALIZED TAILS IN A LOCALIZED WAVE-FUNCTION

MODELING HIGHLY VIBRATIONALLY EXCITED-STATES IN HYDROGEN-PEROXIDE

PERTURBATIVE DESCRIPTIONS OF HIGHLY EXCITED VIBRATIONS

VARIATIONAL AND PERTURBATIVE DESCRIPTIONS OF HIGHLY VIBRATIONALLY EXCITED MOLECULES

CORRECTIONS TO THE BORN-OPPENHEIMER TREATMENT OF THE TUNNELING SPLITTING IN THE HF DIMER

ROTATIONALLY INDUCED VIBRATIONAL MIXING IN FORMALDEHYDE

VARIABLE CURVATURE COORDINATES FOR MOLECULAR VIBRATIONS

AN INVESTIGATION OF RO-VIBRATIONALLY EXCITED FORMALDEHYDE ON THE GROUND ELECTRONIC SURFACE

ROTATION VIBRATION INTERACTIONS BETWEEN THE 2 LOWEST FREQUENCY MODES IN FORMALDEHYDE

THEORETICAL-STUDIES OF VIBRATIONALLY EXCITED POLYATOMIC-MOLECULES USING CANONICAL VANVLECK PERTURBATION-THEORY

VANVLK – AN ALGEBRAIC MANIPULATION PROGRAM FOR CANONICAL VANVLECK PERTURBATION-THEORY

CLASSICAL DYNAMICS OF HIGHLY EXCITED CH AND CD OVERTONES IN BENZENE AND PERDEUTEROBENZENE

INTRAMOLECULAR VIBRATIONAL-RELAXATION AND SPECTRA OF CH AND CD OVERTONES IN BENZENE AND PERDEUTEROBENZENE

QUANTUM DYNAMICS OF ENERGY-TRANSFER BETWEEN BONDS IN COUPLED MORSE OSCILLATOR-SYSTEMS

FERMI RESONANCE FROM A CURVILINEAR PERSPECTIVE

INTRAMOLECULAR VIBRATIONAL-RELAXATION OF CH OVERTONES IN BENZENE

CLASSICAL DYNAMICS OF ENERGY-TRANSFER BETWEEN BONDS IN ABA TRIATOMICS

DYNAMICS OF INTRAMOLECULAR ENERGY-FLOW IN LINEAR AND CYCLIC HYDROCARBONS

INTRAMOLECULAR VIBRATIONAL-RELAXATION OF CH OVERTONES IN BENZENE

LOCAL MODE ENERGY-TRANSFER – EBB AND FLOW

QUANTUM-MECHANICS OF LOCAL MODE ABA TRIATOMIC-MOLECULES

STEREOCHEMISTRY OF MOLECULAR-HYDROGEN ELIMINATION FROM CYCLOPENTENE AT 1100-1300-K