Amine vs. carboxylic acid protonation in ortho-, meta-, and para-aminobenzoic acid: An IRMPD spectroscopy study [0.03%]
基于氨基和羧基质子化研究的邻、间、对氨基苯甲酸的红外多光子解吸光谱研究
Adam P Cismesia,Georgina R Nicholls,Nicolas C Polfer
Adam P Cismesia
Infrared multiple photon dissociation (IRMPD) spectroscopy and computational chemistry are applied to the ortho-, meta-, and para- positional isomers of aminobenzoic acid to investigate whether the amine or the carboxylic acid are the favor...
Semi-classical calculations of self-broadening coefficients of OCS and HCN at temperatures between 200 K and 298 K [0.03%]
200K到298K温度范围内OCS和HCN自展宽系数的半经典计算
C Jellali,S Galalou,A Cuisset et al.
C Jellali et al.
For some temperatures of atmospheric interest from 200 to 298 K, the self-broadening coefficients of OCS-OCS and HCN-HCN collisional systems, at different strengths of electrostatic interactions, were calculated respectively for ν1 and ν2...
F J Lovas,M K Sprague
F J Lovas
The microwave spectrum of the molecular complex of sulfur dioxide (SO2) with carbon monoxide (CO) has been studied with a pulsed-beam Fourier Transform Microwave Spectrometer (FTMW) from a pair of gas samples of 1 % by volume of SO2 and CO ...
Johann V Pototschnig,Günter Krois,Florian Lackner et al.
Johann V Pototschnig et al.
We present a thorough theoretical and experimental study of the electronic structure of RbCa. The mixed alkali-alkaline earth molecule RbCa was formed on superfluid helium nanodroplets. Excited states of the molecule in the range of 13 000-...
N(2)O weak lines observed between 3900 and 4050 cm from long path absorption spectra [0.03%]
长光程吸收光谱观测到的3900至4050cm^-1之间的弱N_2O谱线
Hervé Herbin,Nathalie Picqué,Guy Guelachvili et al.
Hervé Herbin et al.
Previously unobserved nitrous oxide transitions around 2.5 μm are measured by intracavity laser absorption spectroscopy (ICLAS) analyzed by time-resolved Fourier transform (TRFT) spectrometer. With an accuracy of the order of 10(-3) cm(-1)...
A high-precision ab initio determination of the equilibrium geometry and force field of HOC+ [0.03%]
从头算高精度HOC+平衡几何和力场的计算
D J DeFrees,P R Bunker,J S Binkley et al.
D J DeFrees et al.
Ab initio molecular orbital theory is used to determine if the molecular ion HOC+ is linear (as are the isoelectronic species HCN, HNC, HCO+, etc.), or if it is quasilinear. Near the Hartree-Fock limit the molecule is either linear, or very...
A. Bernard,J. Chevillard
A. Bernard
T. Hirao,T. Okabayashi,M. Tanimoto
T. Hirao
The Rotational Structure of the (7, 4) and (7, 2) Bands of the A(2)Pi(u)-X(2)Sigma(g)(+) System of N(2)(+) Studied by Velocity Modulation Laser Spectroscopy [0.03%]
速度调制激光光谱法研究N₂⁺的A²Πᵤ-X²Σｇ₊系（7,4）和（7,2）带的转动结构
Yuyan Liu,Chuanxi Duan,Shenghai Wu et al.
Yuyan Liu et al.
S. N. Yurchenko,Per Jensen,Yan Li et al.
S. N. Yurchenko et al.
In a classic paper by G. Herzberg and J. W. C. Johns entitled "The Spectrum and Structure of Singlet CH(2)" (Proc. Roy. Soc. A 295, 107-128 (1966)) the analysis of the &btilde;(1)B(1)