[ספר][B] Isotope effects in chemistry and biology

A Kohen, HH Limbach - 2005‏ - taylorfrancis.com
The field of isotope effects has expanded exponentially in the last decade, and researchers
are finding isotopes increasingly useful in their studies. Bringing literature on the subject up …

Frequency and zero-point vibrational energy scale factors for double-hybrid density functionals (and other selected methods): can anharmonic force fields be avoided …

MK Kesharwani, B Brauer… - The Journal of Physical …, 2015‏ - ACS Publications
We have obtained uniform frequency scaling factors λharm (for harmonic frequencies), λfund
(for fundamentals), and λZPVE (for zero-point vibrational energies (ZPVEs)) for the Weigend …

Optical frequency comb Fourier transform spectroscopy of formaldehyde in the 1250 to 1390 cm− 1 range: Experimental line list and improved MARVEL analysis

M Germann, A Hjältén, J Tennyson… - Journal of Quantitative …, 2024‏ - Elsevier
We use optical frequency comb Fourier transform spectroscopy to record high-resolution,
low-pressure, room-temperature spectra of formaldehyde (H 2 12 C 16 O) in the range of …

Direct vibrational self-consistent field method: Applications to and

K Yagi, T Taketsugu, K Hirao… - The Journal of Chemical …, 2000‏ - pubs.aip.org
The vibrational self-consistent field (VSCF) and virtual configuration interaction (VCI)
methods are directly combined with ab initio electronic structure calculations for evaluations …

Stimulated emission spectroscopy: A complete set of vibrational constants for X̃ 1A1 formaldehyde

DE Reisner, RW Field, JL Kinsey, HL Dai - The Journal of chemical …, 1984‏ - pubs.aip.org
A complete set of 27 normal mode vibrational constants ω0 i and xi j as well as six
harmonized vibrational frequencies ω i is obtained for the H2CO X ̃1 A 1 state: ω01 …

Infrared band intensities of formaldehyde and formaldehyde‐d2

T Nakanaga, S Kondo, S Saëki - The Journal of Chemical Physics, 1982‏ - pubs.aip.org
The infrared band intensities of formaldehyde and formaldehyde‐d 2 have been measured
in the gas phase using an FT–IR spectrometer. The effect of the polymerization of the …

An improved rovibrational linelist of formaldehyde, H212C16O

AR Al-Derzi, J Tennyson, SN Yurchenko… - Journal of Quantitative …, 2021‏ - Elsevier
Published high-resolution rotation-vibration transitions of H 2 12 C 16 O, the principal
isotopologue of methanal, are analyzed using the MARVEL (Measured Active Rotation …

ATMOS data processing and science analysis methods

RH Norton, CP Rinsland - Applied optics, 1991‏ - opg.optica.org
The ATMOS (atmospheric trace molecule spectroscopy) instrument, a high speed Fourier
transform spectrometer operating in the middle IR (2.2–16 μm), recorded more than 1500 …

Rotation‐induced vibrational mixing in X̃ 1A1 formaldehyde: Non−negligible dynamical consequences of rotation

HL Dai, CL Korpa, JL Kinsey, RW Field - The Journal of chemical …, 1985‏ - pubs.aip.org
Individual rotation‐vibration levels of the formaldehyde X ̃ 1 A 1 state with 7400< E vib<
8600 cm− 1 have been examined by the stimulated emission pum** (SEP) technique. At …

Pure vibrational spectroscopy of S0 formaldehyde by dispersed fluorescence

RJ Bouwens, JA Hammerschmidt… - The Journal of …, 1996‏ - pubs.aip.org
Dispersed fluorescence spectra from the 000 rotational level of 40, 41, 51, and 3141 S 1
formaldehyde (H2CO) have been recorded. From these spectra, 198 new vibrational states …