Decoding chemical information from vibrational spectroscopy data: Local vibrational mode theory
Modern vibrational spectroscopy is more than just an analytical tool. Information about the
electronic structure of a molecule, the strength of its bonds, and its conformational flexibility …
electronic structure of a molecule, the strength of its bonds, and its conformational flexibility …
Capturing chemistry in action with electrons: realization of atomically resolved reaction dynamics
One of the grand challenges in chemistry has been to directly observe atomic motions
during chemical processes. The depiction of the nuclear configurations in space-time to …
during chemical processes. The depiction of the nuclear configurations in space-time to …
[BOOK][B] Molecular symmetry and spectroscopy
The first edition, by PR Bunker, published in 1979, remains the sole textbook that explains
the use of the molecular symmetry group in understanding high resolution molecular …
the use of the molecular symmetry group in understanding high resolution molecular …
[BOOK][B] Factorization method in quantum mechanics
SH Dong - 2007 - books.google.com
This book introduces the factorization method in quantum mechanics at an advanced level,
with the aim of putting mathematical and physical concepts and techniques like the …
with the aim of putting mathematical and physical concepts and techniques like the …
Map** atomic motions with ultrabright electrons: The chemists' Gedanken experiment enters the lab frame
RJD Miller - Annual review of physical chemistry, 2014 - annualreviews.org
This review documents the development of high–bunch charge electron pulses with
sufficient combined spatiotemporal resolution and intensity to literally light up atomic …
sufficient combined spatiotemporal resolution and intensity to literally light up atomic …
The spectroscopy of water vapour: Experiment, theory and applications
PF Bernath - Physical Chemistry Chemical Physics, 2002 - pubs.rsc.org
The recent spectroscopy of water vapour in the ground electronic state is reviewed.
Experimental advances from the microwave to the near ultraviolet spectral regions are …
Experimental advances from the microwave to the near ultraviolet spectral regions are …
Ladder operators for the Morse potential
A realization of the raising and lowering operators for the Morse potential is presented. It is
shown that these operators satisfy the commutation relations for the SU (2) group. Closed …
shown that these operators satisfy the commutation relations for the SU (2) group. Closed …
Optimized coordinates for anharmonic vibrational structure theories
. For a given molecule, these coordinates are defined as the unitary transform of the normal
coordinates that minimizes the energy of the vibrational self-consistent-field (VSCF) method …
coordinates that minimizes the energy of the vibrational self-consistent-field (VSCF) method …
Weak intramolecular interactions in ethylene glycol identified by vapor phase OH− stretching overtone spectroscopy
DL Howard, P Jørgensen… - Journal of the American …, 2005 - ACS Publications
Vapor phase OH-stretching overtone spectra of ethylene glycol were recorded to investigate
weak intramolecular hydrogen bonding. The spectra were recorded with conventional …
weak intramolecular hydrogen bonding. The spectra were recorded with conventional …
On the derivation of coefficient of Morse potential function for the silicene: a DFT investigation
In this paper, the structural and mechanical properties of silicene are investigated by the
density functional theory calculations. To calculate Young's, bulk, and shear moduli and …
density functional theory calculations. To calculate Young's, bulk, and shear moduli and …