Conformational sampling and large amplitude motion of methyl valerate

Large Amplitude ◽

Quantum Chemical ◽

Microwave Spectrum ◽

Conformational Sampling ◽

Frequency Range ◽

The microwave spectrum of the fruit ester methyl valerate was recorded using two molecular jet Fourier transform spectrometers covering the frequency range from 2 to 40 GHz. Quantum chemical calculations...

Molecular structures, conformations, force fields and large amplitude motion of cis-3-chloro-2-propen-1-ol as studied by quantum chemical calculations and gas electron diffraction augmented with quantum chemical calculations on 2-propen-1-ol

Journal of Molecular Structure ◽

10.1016/j.molstruc.2008.12.036 ◽

2009 ◽

Vol 921 (1-3) ◽

pp. 72-79 ◽

Cited By ~ 4

Author(s):

Tor G. Strand ◽

Snefrid Gundersen ◽

Hanno Priebe ◽

Svein Samdal ◽

Ragnhild Seip

Keyword(s):

Electron Diffraction ◽

Large Amplitude ◽

Quantum Chemical ◽

Force Fields ◽

Molecular Structures ◽

Gas Electron Diffraction ◽

Molecular structure, conformation, and large amplitude motion of barbituric acid as studied by gas-phase electron diffraction and quantum chemical calculations

Structural Chemistry ◽

10.1007/s11224-011-9743-x ◽

2011 ◽

Vol 22 (2) ◽

pp. 419-425 ◽

Cited By ~ 6

Author(s):

Olga V. Dorofeeva ◽

Ilya I. Marochkin ◽

Nikolai M. Karasev ◽

Igor F. Shishkov ◽

Heinz Oberhammer

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Gas Phase ◽

Large Amplitude ◽

Quantum Chemical ◽

Barbituric Acid ◽

Gas Phase Electron Diffraction ◽

MICROWAVE SPECTRUM OF A SUPERACID AND ITS MONOHYDRATE: TUNNELING AND LARGE AMPLITUDE MOTION IN CF3SO2OH AND CF3SO2OH-H2O

Proceedings of the 74th International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2019.wb07 ◽

2019 ◽

Author(s):

Anna Huff ◽

Kenneth Leopold ◽

CJ Smith ◽

Nathan Love

Keyword(s):

Large Amplitude ◽

Microwave Spectrum ◽

Three isomers detected for the whisky lactone: 5-butyl-4-methyl tetrahydrofuran-2-one by Fourier transform microwave spectroscopy and quantum chemical calculations

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2017.02.007 ◽

2017 ◽

Vol 335 ◽

pp. 27-32 ◽

Cited By ~ 1

Author(s):

Yoshiyuki Kawashima ◽

Ryusuke Katsuragi ◽

Eizi Hirota

Keyword(s):

Fourier Transform ◽

Fourier Transform Microwave Spectroscopy

Quantum Chemical ◽

Microwave Spectroscopy ◽

Microwave Spectrum, Intramolecular Hydrogen Bonding, Conformational Properties and Quantum Chemical Calculations for 3,3,3-Trifluoropropanol.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.53-0202 ◽

1999 ◽

Vol 53 ◽

pp. 202-208 ◽

Cited By ~ 12

Author(s):

K.-M. Marstokk ◽

Harald Møllendal ◽

Karel D. Klika ◽

Ferenc Fülöp ◽

Reijo Sillanpää ◽

...

Keyword(s):

Hydrogen Bonding ◽

Quantum Chemical ◽

Intramolecular Hydrogen Bonding ◽

Microwave Spectrum ◽

Conformational Properties ◽

Intramolecular Hydrogen

The conformational analysis of push–pull enaminones using Fourier transform IR and NMR spectroscopy, and quantum chemical calculations. V. α-Methyl-, fluorine-β-N,N-dimethylaminovinyl trifluoromethyl ketones

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.04.053 ◽

2014 ◽

Vol 131 ◽

pp. 94-101 ◽

Cited By ~ 6

Author(s):

Sergey I. Vdovenko ◽

Igor I. Gerus ◽

Yuri I. Zhuk ◽

Valery P. Kukhar ◽

Gerd-Volker Röschenthaler

Keyword(s):

Fourier Transform ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Quantum Chemical ◽

Trifluoromethyl Ketones ◽

Ir And Nmr Spectroscopy ◽

Fourier Transform Ir

Spectroscopic investigation of fluoroiodomethane, CH2FI: Fourier-transform microwave and millimeter-/submillimeter-wave spectroscopy and quantum-chemical calculations

The Journal of Chemical Physics ◽

10.1063/1.3583498 ◽

2011 ◽

Vol 134 (17) ◽

pp. 174312 ◽

Cited By ~ 21

Author(s):

Cristina Puzzarini ◽

Gabriele Cazzoli ◽

Juan Carlos López ◽

José Luis Alonso ◽

Agostino Baldacci ◽

...

Keyword(s):

Fourier Transform ◽

Spectroscopic Investigation ◽

Quantum Chemical ◽

Submillimeter Wave

Competitive tetrel bond and hydrogen bond in benzaldehyde-CO2: Characterization by rotational spectroscopy

Physical Chemistry Chemical Physics ◽

10.1039/d1cp03608d ◽

2021 ◽

Author(s):

Hao Wang ◽

Xiujuan Wang ◽

Xiao Tian ◽

Wanying Cheng ◽

Yang Zheng ◽

...

Keyword(s):

Hydrogen Bond ◽

Fourier Transform ◽

Fourier Transform Microwave Spectroscopy

Quantum Chemical ◽

Microwave Spectroscopy ◽

Rotational Spectroscopy ◽

Rotational Spectrum ◽

Pulsed Jet ◽

Tetrel Bond ◽

The rotational spectrum of the 1:1 benzaldehyde-CO2 complex has been investigated by pulsed-jet Fourier transform microwave spectroscopy complemented with quantum chemical calculations. Two isomers, both characterized by one C···O tetrel...