HCP CPH Isomerization: Caught in the Act

H Ishikawa, RW Field, SC Farantos… - Annual review of …, 1999 - annualreviews.org
▪ Abstract In this overview we discuss the vibrational spectrum of phosphaethyne, HCP, in its
electronic ground state, as revealed by complementary experimental and theoretical …

[图书][B] Chaos near resonance

G Haller - 2012 - books.google.com
Resonances are ubiquitous in dynamical systems with many degrees of freedom. They have
the basic effect of introducing slow-fast behavior in an evolutionary system which, coupled …

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 …

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 …

Time-frequency analysis of classical trajectories of polyatomic molecules

LV Vela-Arevalo, S Wiggins - International Journal of Bifurcation and …, 2001 - World Scientific
We present a new method of frequency analysis for Hamiltonian Systems of 3 degrees of
freedom and more. The method is based on the concept of instantaneous frequency …

Theory of mass-independent fractionation of isotopes, phase space accessibility, and a role of isotopic symmetry

RA Marcus - Proceedings of the National Academy of …, 2013 - National Acad Sciences
Key experimental and theoretical features of mass-independent fractionation (MIF) of
isotopes, also known as the η-effect, are summarized, including its difference from the exit …

[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 …

Intramolecular vibrational energy redistribution in DCO (X [combining tilde] 2 A′): Classical-quantum correspondence, dynamical assignments of highly excited states …

A Semparithi, S Keshavamurthy - Physical Chemistry Chemical …, 2003 - pubs.rsc.org
Intramolecular dynamics of highly excited DCO (2A′) is studied from a classical-quantum
correspondence perspective using the effective spectroscopic Hamiltonian proposed …

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 …

Dynamical tunnelling in molecules: quantum routes to energy flow

S Keshavamurthy - International Reviews in Physical Chemistry, 2007 - Taylor & Francis
Dynamical tunnelling, introduced in the molecular context, is more than two decades old and
refers to phenomena that are classically forbidden but allowed by quantum mechanics. The …