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[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 …
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 …
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 …
(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
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 …
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
The vibrational self-consistent field (VSCF) and virtual configuration interaction (VCI)
methods are directly combined with ab initio electronic structure calculations for evaluations …
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
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 …
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 …
in the gas phase using an FT–IR spectrometer. The effect of the polymerization of the …
An improved rovibrational linelist of formaldehyde, H212C16O
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 …
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 …
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
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 …
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 …
formaldehyde (H2CO) have been recorded. From these spectra, 198 new vibrational states …