An empirical correlation between stretching vibration redshift and hydrogen bond length

M Rozenberg, A Loewenschuss… - Physical Chemistry …, 2000 - pubs.rsc.org
A correlation is found between the magnitude of the redshift (Δν= 20 to 2500 cm− 1 relative
to the free molecule) of the stretching mode of H-bonded A–H groups in an A–H··· B …

Ab initio calculation of nonbonded interactions: are we there yet?

AK Rappe, ER Bernstein - The Journal of Physical Chemistry A, 2000 - ACS Publications
We present calculations for the nonbonded interactions in the dimeric complexes: methane
dimer, ammonia dimer, water dimer, H2O⊙(NH3), CH4⊙(NH3), and (FHF)-as a function of …

SANS from poly (ethylene oxide)/water systems

B Hammouda, D Ho, S Kline - Macromolecules, 2002 - ACS Publications
The poly (ethylene oxide)(PEO)/water system is investigated using small-angle neutron
scattering (SANS). This system associates to form hydrogen-bonded clusters at high enough …

Application of genetic algorithms in automated assignments of high-resolution spectra

W Leo Meerts, M Schmitt - International Reviews in Physical …, 2006 - Taylor & Francis
This paper describes an automated assignment and fitting procedure for high-resolution
rotationally resolved spectra. The method is based on the application of genetic algorithms …

Lone-Pair⋅⋅⋅ π Interaction: A Rotational Study of the Chlorotrifluoroethylene-Water Adduct.

Q Gou, G Feng, L Evangelisti… - Angewandte …, 2013 - search.ebscohost.com
The rotational spectrum of the chlorotrifluoroethylene–water adduct shows that water links to
a fully halogenated alkene through a lone-pair (lp)··· π interaction. Water is ubiquitous in …

Relative Strengths of the OH Cl and OHF Hydrogen Bonds

W Caminati, S Melandri, A Maris… - ANGEWANDTE CHEMIE …, 2006 - cris.unibo.it
We show here that, in a solvent free environment, a water molecule prefers to form a
hydrogen bond with a Cl rather than with a F atom. For this purpose, several isotopologues …

Advances and applications of microwave spectroscopy

T Shou-Yuan, X Zhi-Ning, F Yu-Jie, G Qian - Chinese Journal of Analytical …, 2008 - Elsevier
Advances and applications of microwave spectroscopy are recommended, and the
instrument structure and principle are also illuminated. Its applications in the analyses of …

Sulfur hydrogen bonding in isolated monohydrates: Furfuryl mercaptan versus furfuryl alcohol

M Juanes, A Lesarri, R Pinacho… - … A European Journal, 2018 - Wiley Online Library
The hydrogen bonds involving sulfur in the furfuryl mercaptan monohydrate are compared
with the interactions originating from the hydroxyl group in furfuryl alcohol. The dimers with …

Quantum Mechanical/Molecular Mechanical Free Energy Simulations of the Glutathione S-Transferase (M1-1) Reaction with Phenanthrene 9,10-Oxide

L Ridder, IMCM Rietjens, J Vervoort… - Journal of the …, 2002 - ACS Publications
Glutathione S-transferases (GSTs) play an important role in the detoxification of xenobiotics
in mammals. They catalyze the conjugation of glutathione to a wide range of electrophilic …

Hydrogen versus tetrel bonds in complexes of 3-oxetanone with water and formaldehyde

J Chen, H Wang, Z Kisiel, Q Gou… - Physical Chemistry …, 2021 - pubs.rsc.org
The ability and preference of 3-oxetanone to form hydrogen or tetrel bonds have been
investigated in its complexes with water and formaldehyde by using Fourier transform …