The dance of molecules: New dynamical perspectives on highly excited molecular vibrations

ME Kellman, V Tyng - Accounts of chemical research, 2007 - ACS Publications
At low energies, molecular vibrational motion is described by the normal modes model. This
model breaks down at higher energy, with strong coupling between normal modes and …

Approximate constants of motion for vibrational spectra of many‐oscillator systems with multiple anharmonic resonances

ME Kellman - The Journal of chemical physics, 1990 - pubs.aip.org
A theory of approximate dynamical constants of motion is presented for vibrational (and
implicitly, rovibrational) spectra of polyatomics with multiple nonlinear resonances. The …

High-order contact transformations of molecular Hamiltonians: general approach, fast computational algorithm and convergence of ro-vibrational polyad models

V Tyuterev, S Tashkun, M Rey, A Nikitin - Molecular Physics, 2022 - Taylor & Francis
The paper describes methods and fast computational algorithm for building effective
Hamiltonians in molecular physics using perturbative approach. Separations of fast and …

Algebraic models in molecular spectroscopy

S Oss - Advances in chemical physics: new methods in …, 2009 - books.google.com
Algebraic models in molecular spectroscopy Page 469 ALGEBRAIC MODELS IN
MOLECULAR SPECTROSCOPY STEFANO OSS Dipartimento di Fisica, Universitd di …

The wave packet motion and intramolecular vibrational redistribution in CHX3 molecules under infrared multiphoton excitation

R Marquardt, M Quack - The Journal of chemical physics, 1991 - pubs.aip.org
We report results from quantum dynamical simulations of ultrafast vibrational redistribution
processes in the CH chromophore of CHX3 molecules (CHD3, CHF3) during and after …

Rotation–vibration interactions in highly excited states of SO2 and H2CO

AB McCoy, DC Burleigh, EL Sibert III - The Journal of chemical physics, 1991 - pubs.aip.org
Canonical Van Vleck perturbation theory (CVPT) is used to investigate rotation–vibration
mixing of highly excited vibrational states of SO2 and H2CO. For SO2 we find a nearly …

State-by-state assignment of the bending spectrum of acetylene at 15 000 cm−1: A case study of quantum-classical correspondence

MP Jacobson, C Jung, HS Taylor… - The Journal of chemical …, 1999 - pubs.aip.org
Techniques of quantum, semiclassical, and nonlinear classical mechanics are employed to
investigate the bending dynamics of acetylene, as represented by a recently reported …

[图书][B] Encyclopedia of chemical physics and physical chemistry

JH Moore, ND Spencer - 2001 - api.taylorfrancis.com
Jacket illustration. CryoSEM micrograph of a freeze-fractured yeast cell. Specimen was
prepared according to Walther et al (1995) and imaged using back-scattered electrons …

Novel Criteria to Provide a Locality/Normality Degree in Molecules and Their Relevance in Physical Chemistry

E Suárez, O Guzmán-Juárez, R Lemus - Molecules, 2024 - pmc.ncbi.nlm.nih.gov
In contrast to the traditional analysis of molecules using local mode behavior, where the
degree of locality is given through a function in terms of Morse potential parameters, new …

Highly excited motion in molecules: Saddle-node bifurcations and their fingerprints in vibrational spectra

M Joyeux, SC Farantos, R Schinke - The Journal of Physical …, 2002 - ACS Publications
The vibrational motion of highly excited molecules is discussed in terms of exact quantum
and classical mechanics calculations, employing global potential energy surfaces, as well …