相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Internal methyl rotation and molecular structure of trifluorotoluenes: microwave rotational spectra of 2,3,4-and 2,4,5-trifluorotoluene
K. P. Rajappan Nair et al.
CANADIAN JOURNAL OF PHYSICS (2020)
The Scent of Maibowle - π Electron Localization in Coumarin from Its Microwave-Determined Structure
Ha Vinh Lam Nguyen et al.
CHEMPHYSCHEM (2020)
The heavy atom substitution and semi-experimental equilibrium structures of 2-ethylfuran obtained by microwave spectroscopy
Ha Vinh Lam Nguyen
JOURNAL OF MOLECULAR STRUCTURE (2020)
Coupled large amplitude motions: The effects of two methyl internal rotations and 14N quadrupole coupling in 4,5-dimethylthiazole investigated by microwave spectroscopy
Vinh Van et al.
JOURNAL OF MOLECULAR STRUCTURE (2020)
Two Equivalent Internal Rotations in the Microwave Spectrum of 2,6-Dimethylfluorobenzene
Safa Khemissi et al.
CHEMPHYSCHEM (2020)
Reactivity and rotational spectra: the old concept of substitution effects
Sven Herbers et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Molecular systems with nearly-free internal rotation and nuclear quadrupole coupling: Meta-chlorotoluene
K. P. Rajappan Nair et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2019)
Structure and methyl torsion of halogenated toluenes: Rotational spectrum of 3,4-difluorotoluene
K. P. Rajappan Nair et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2019)
Interplay Between Microwave Spectroscopy and X-ray Diffraction: The Molecular Structure and Large Amplitude Motions of 2,3-Dimethylanisole
Lynn Ferres et al.
CHEMPHYSCHEM (2018)
Internal rotation in halogenated toluenes: Rotational spectrum of 2,3-difluorotoluene
K. P. Rajappan Nair et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2018)
Internal rotation in halogenated toluenes: Rotational spectrum of 2,5-difluorotoluene
K. P. Rajappan Nair et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2017)
Rotational spectroscopy, tentative interstellar detection, and chemical modeling of N-methylformamide
A. Belloche et al.
ASTRONOMY & ASTROPHYSICS (2017)
The low internal rotation barriers of halogenated toluenes: Rotational spectrum of 2,4-difluorotoluene
K.P. Rajappan Nair et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2017)
Rotational Spectroscopy of p-Toluic Acid and Its 1:1 Complex with Water
Elijah G. Schnitzler et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
The molecular structure of phenetole studied by microwave spectroscopy and quantum chemical calculations
Lynn Ferres et al.
MOLECULAR PHYSICS (2016)
Six-fold-symmetry internal rotation in toluenes: the low barrier challenge of 2,6-and 3,5-difluorotoluene
K. P. Rajappan Nair et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Communication through the phenyl ring: internal rotation and nuclear quadrupole splitting in p-halotoluenes
V. Alvin Shubert et al.
MOLECULAR PHYSICS (2013)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
The microwave spectrum of isopropenyl acetate - An asymmetric molecule with two internal rotors
H. V. L. Nguyen et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2010)
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Basis set exchange: A community database for computational sciences
Karen L. Schuchardt et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Microwave spectra of o-fluorotoluene and its 13C isotopic species:: Methyl internal rotation and molecular structure
S Jacobsen et al.
STRUCTURAL CHEMISTRY (2003)
Rotational spectra of quinoline and of isoquinoline: spectroscopic constants and electric dipole moments
Z Kisiel et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2003)
Calculation of 14N and 33S quadrupole coupling constants on optimized molecular structures of thiazole
WC Bailey
JOURNAL OF MOLECULAR SPECTROSCOPY (2001)