... with self-reported non-celiac gluten sensitivity," by Skodje GI, Sarna VK, Minelle IH, et al, on ... with self-reported non-celiac gluten sensitivity," by Skodje GI, Sarna VK, Minelle IH, et al, on ... consumption of gluten proteins. The current study of Skodje et al4Skodje G.I. Sarna V.K. Minelle ... ATIs; Figure 1). In this issue of Gastroenterology, Skodje et al4Skodje G.I. Sarna V.K. Minelle ... to be identified and studies, like that of Skodje et al,4Skodje G.I. Sarna V.K. ...
Tópico(s): Whipple's Disease and Interleukins
2018 - Elsevier BV | Gastroenterology
Donald G. Truhlar, Alan D. Isaacson, Rex T. Skodje, Bruce C. Garrett,
... theoryDonald G. Truhlar, Alan D. Isaacson, Rex T. Skodje, and Bruce C. GarrettCite this: J. Phys. Chem. ...
Tópico(s): Advanced Chemical Physics Studies
1982 - American Chemical Society | The Journal of Physical Chemistry
Rex T. Skodje, Donald G. Truhlar,
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTParabolic tunneling calculationsRex T. Skodje and Donald G. TruhlarCite this: J. Phys. Chem. 1981, 85, 6, 624–628Publication Date (Print):March 1, 1981Publication History Published online1 May 2002Published ...
Tópico(s): Nonlinear Dynamics and Pattern Formation
1981 - American Chemical Society | The Journal of Physical Chemistry
Rex T. Skodje, Donald G. Truhlar, Bruce C. Garrett,
... approximation for transition-state-theory transmission coefficientsRex T. Skodje, Donald G. Truhlar, and Bruce C. GarrettCite this: ...
Tópico(s): Spectroscopy and Quantum Chemical Studies
1981 - American Chemical Society | The Journal of Physical Chemistry
Donald G. Truhlar, Alan Issacson, Rex T. Skodje, Bruce C. Garrett,
... Generalized-Transition-State TheoryDonald Truhlar, Alan Issacson, Rex Skodje, and Bruce GarrettCite this: J. Phys. Chem. 1983, ...
Tópico(s): Advanced Chemical Physics Studies
1983 - American Chemical Society | The Journal of Physical Chemistry
Rex T. Skodje, David W. Schwenke, Donald G. Truhlar, Bruce C. Garrett,
... inelastic decay of adiabatically trapped reactive resonancesRex T. Skodje, David W. Schwenke, Donald G. Truhlar, and Bruce ...
Tópico(s): Spectroscopy and Quantum Chemical Studies
1984 - American Chemical Society | The Journal of Physical Chemistry
Kazem Nouri, Hassan Ranjbar, Dumitru Băleanu, Leila Torkzadeh,
... that the Ginzburg-Landau equation and the Davis-Skodje model can be considered as special states of ...
Tópico(s): Fluid Dynamics and Turbulent Flows
2021 - Elsevier BV | Alexandria Engineering Journal
Rex T. Skodje, W. Ronald Gentry, Clayton F. Giese,
Our previous theory of vibrationally inelastic atom–diatom collisions, which is based on an approximate correspondence between the classical and quantal equations of motion, is extended here to the problem of translational–vibrational and vibrational–vibrational energy transfer in collisions of two identical diatoms. Parameters describing the quantal motion of harmonic oscillators subject to an interaction potential which includes only terms linear and bilinear in the two oscillator coordinates ...
Tópico(s): Hemoglobin structure and function
1977 - American Institute of Physics | The Journal of Chemical Physics
Rex T. Skodje, Donald G. Truhlar, Bruce C. Garrett,
The approximation of vibrational adiabaticity in curvilinear natural collision coordinates is investigated for tunneling in three-atom collinear reactions. A validity criterion is derived which limits the adiabatic approximation to systems with small reaction-path curvature. A general formalism is developed for systems which satisfy this criterion. A one-dimensional Schrödinger equation is proposed which is sufficiently flexible so as to be adaptable to many different models of tunneling. We present ...
Tópico(s): Spectroscopy and Quantum Chemical Studies
1982 - American Institute of Physics | The Journal of Chemical Physics
Rex T. Skodje, Donald G. Truhlar,
Beginning with the Miller–Handy–Adams reaction-path Hamiltonian, which is applicable to chemical reactions and photodissociation processes, we classify the modes as one reaction coordinate, (f−1) strongly coupled modes, and (F−f) weakly coupled modes. We derive a reduced-dimensionality Hermitian Hamiltonian for f explicit modes such that the (F−f) weakly coupled modes are treated adiabatically and their coupling to the reaction coordinate due to reaction-path curvature is included implicity. The reduction ...
Tópico(s): Quantum and electron transport phenomena
1983 - American Institute of Physics | The Journal of Chemical Physics
Rex T. Skodje, W. Ronald Gentry, Clayton F. Giese,
Tópico(s): Hemoglobin structure and function
1983 - Elsevier BV | Chemical Physics
Tópico(s): Quantum optics and atomic interactions
1984 - Elsevier BV | Chemical Physics Letters
Bruce R. Johnson, Rex T. Skodje, William P. Reinhardt,
Two different adiabatic methods are applied to the calculation of energy levels for a two-dimensional system modeling an anharmonic XH stretch and an associated harmonic bend coupled through centrifugal stretching. The two methods are compared in their ability to yield accurate eigenvalues for the first several overtones and combination bands, and are both shown to be easily extendible to handle cases of Fermi resonance.
Tópico(s): Spectroscopy and Quantum Chemical Studies
1984 - Elsevier BV | Chemical Physics Letters
Rex T. Skodje, Donald G. Truhlar,
We examine several methods of implementing the time-dependent Gaussian wave packet method of Heller for collinear atom–molecule collisions involving anharmonic vibrators. We show that reasonably accurate results can be obtained with a procedure involving uncoupled frozen Gaussians with phases evaluated along classical trajectories. Although this method is much more accurate than the standard quasiclassical trajectory method, it involves about the same computational effort.
Tópico(s): Spectroscopy and Laser Applications
1984 - American Institute of Physics | The Journal of Chemical Physics
Bruce C. Garrett, David W. Schwenke, Rex T. Skodje, Devarajan Thirumalai, Todd C. Thompson, Donald G. Truhlar,
Several approximate methods for calculating resonance energies and widths for atom-diatom reactive collisions are discussed. In particular, we present resonance energy calculations by semiclassical and quantal vibrationally adiabatic models based on minimum-energy and small-curvature paths, by the semiclassical SCF method, by quantal SCF and configuration-mixing methods, and by close coupling calculations. We also present total width calculations based on analytic continuation by polynomials and ...
Tópico(s): Molecular Spectroscopy and Structure
1984 - American Chemical Society | ACS symposium series
... 446308 CASWeb of Science®Google Scholar R. T. Skodje and D. G. Truhlar, J. Chem. Phys. 79, ...
Tópico(s): Spectroscopy and Quantum Chemical Studies
1985 - Wiley | Advances in chemical physics
Tópico(s): Nonlinear Dynamics and Pattern Formation
1985 - Elsevier BV | Chemical Physics Letters
Rex T. Skodje, F. Borondo, William P. Reinhardt,
A method for the semiclassical quantization of multidimensional bound systems based on the adiabatic hypothesis is examined. The validity criteria for multidimensional adiabaticity is discussed. It is demonstrated that the quantizing orbits for nonseparable systems can often be obtained by propagating a single trajectory from well defined initial conditions with a time-dependent Hamiltonian for ∼100 periods. Numerical examples using systems with up to five degrees of freedom are presented and show ...
Tópico(s): Nonlinear Photonic Systems
1985 - American Institute of Physics | The Journal of Chemical Physics
Rex T. Skodje, Michael J. Davis,
The classical decay dynamics of extremely short-lived species is studied as a phase space process using an approach based on concepts from nonlinear dynamics. When the relaxation rate within the complex region is comparable to the reaction rate, it is found that ensembles of trajectories started in the complex region tend to a fractal asymptotic distribution which can be quite different from the expected microcanonical distribution. A systematically improvable statistical theory is formulated from ...
Tópico(s): Quantum chaos and dynamical systems
1990 - Elsevier BV | Chemical Physics Letters
John R. Cary, P. Rusu, Rex T. Skodje,
The quantum energy eigenvalues near the separatrix energy are found by combination of previous analysis of the quantum states near a barrier top with recent results for the behavior of the classical action near a separatrix. It is found that the minimum energy separation vanishes only logarithmically with Planck's constant. As a result, quantum aspects of the states of a Penning trap should be observable.
Tópico(s): Quantum, superfluid, helium dynamics
1987 - American Physical Society | Physical Review Letters
We show that the adiabatic switching method can be used to find periodic orbits in nonseparable multidimensional Hamiltonian systems. It is shown that the stable periodic orbits for the fully coupled system can be found by adiabatically propagating periodic orbits from a soluble zero order reference system. A general validity criterion for the technique is presented. The method is successfully tested on several two-dimensional coupled Morse oscillator problems. The most exciting applications are ...
Tópico(s): Molecular Spectroscopy and Structure
1986 - American Institute of Physics | The Journal of Chemical Physics
The change of the crossing parameter (essentially the phase) between separatrix crossings is calculated for Hamiltonian systems with one degree of freedom and slow time dependence. This completes the calculation of the map for an arbitrary sequence of separatrix crossings. The change of the crossing parameter is used to calculate the retrapping probability. It is found that, even in the limit of infinitely slow time dependence, correlations persist between the separatrix crossings, and corrections ...
Tópico(s): Nuclear physics research studies
1989 - Elsevier BV | Physica D Nonlinear Phenomena
Rex T. Skodje, Henry W. Rohrs, James VanBuskirk,
The hydrodynamic analogy for quantum mechanics is developed in a quantum phase-space representation. The key technical step in this development is the formulation of a phase-space flux (or current) density expression. Lagrangian fluid trajectories in phase space are explicitly found as solutions to a set of first-order ordinary differential equations which are formulated without making semiclassical approximation to the quantum dynamics. These fluid trajectories may be used to construct sharp structures ...
Tópico(s): Quantum Mechanics and Applications
1989 - American Institute of Physics | Physical review. A, General physics
It is shown that the usual primitive adiabatic theory of classical reaction dynamics is inconsistent when separatrix crossing occurs. In such cases, primitive theory yields errors in the reaction probabilities and other observables which do not scale to zero even when the time scale ratios become infinitely large, i.e., the adiabatic limit. This motivates a fundamental modification to the classical adiabatic theory of reactions to include the effects of separatrix crossing. The approach is explicitly ...
Tópico(s): Quantum chaos and dynamical systems
1989 - American Institute of Physics | The Journal of Chemical Physics
The change of the crossing parameter (essentially the phase) between sequential slow separatrix crossings is calculated for Hamiltonian systems with one degree of freedom. Combined with the previous separatrix crossing analysis, these results reduce the dynamics of adiabatic systems with separatrices to a map. This map determines whether a trajectory leaving a given separatrix lobe is ultimately captured by the other lobe. Averaging these results over initial phase yields the reaction probability, ...
Tópico(s): Quantum many-body systems
1988 - American Physical Society | Physical Review Letters
Tópico(s): Scientific Research and Discoveries
1988 - Elsevier BV | Computer Physics Reports
Rex T. Skodje, Michael J. Davis,
The collinear I+HI reaction is studied using an approach based on the concepts of nonlinear dynamics. Three closed regions in phase space are constructed by connecting the dynamical manifolds emanating from physically important periodic orbits. It is shown that many features of the reaction dynamics can be understood with reference to these regions. The oscillating reaction probability in this system is shown to stem from the geometrical pattern of overlap of heteroclinic oscillations of an interaction ...
Tópico(s): Quantum chaos and dynamical systems
1988 - American Institute of Physics | The Journal of Chemical Physics
Kathryn L. Plath, Kaito Takahashi, Rex T. Skodje, Veronica Vaida,
Pyruvic acid (CH3COCOOH) is an important keto acid present in the atmosphere. In this study, the vibrational spectroscopy of gas-phase pyruvic acid has been investigated with special emphasis on the overtone transitions of the OH-stretch, with ΔvOH = 2, 4, 5. Assignments were made to fundamental and combination bands in the mid-IR. The two lowest energy rotational conformers of pyruvic acid are clearly observed in the spectrum. The lowest energy conformer possesses an intramolecular hydrogen bond, ...
Tópico(s): Spectroscopy and Laser Applications
2009 - American Chemical Society | The Journal of Physical Chemistry A
Kathryn L. Plath, Jessica L. Axson, Galen C. Nelson, Kaito Takahashi, Rex T. Skodje, Veronica Vaidaa,
Tópico(s): Atmospheric chemistry and aerosols
2009 - Akadémiai Kiadó | Reaction Kinetics and Catalysis Letters
Beverly B. Grayce, Rex T. Skodje,
The quantum mechanical resonance states for the I+HI chemical reaction on the Manz–Römelt LEPS (London–Erying–Polanyi–Sato) surface ‘‘A’’ are calculated in three dimensions for the case of total angular momentum equal to zero. The problem is simplified to a two degree of freedom system through the adiabatic elimination of the fastest time scale motion. The adiabatic reduction is carried out in Jacobi coordinates, which allows the correct identification of the fast motion in all dynamically relevant ...
Tópico(s): Quantum chaos and dynamical systems
1991 - American Institute of Physics | The Journal of Chemical Physics