The hydrogen bond: A hundred years and counting
S Scheiner - Journal of the Indian Institute of Science, 2020 - Springer
Since its original inception, a great deal has been learned about the nature, properties, and
applications of the H-bond. This review summarizes some of the unexpected paths that …
applications of the H-bond. This review summarizes some of the unexpected paths that …
Forty years of progress in the study of the hydrogen bond
S Scheiner - Structural Chemistry, 2019 - Springer
The author looks back at developments over the last few decades concerning the H–bond.
The list of atoms involved as proton donor and acceptor has broadened dramatically …
The list of atoms involved as proton donor and acceptor has broadened dramatically …
Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH3NH3PbI3 hybrid organic-inorganic halide …
Abstract The CH3NH3PbI3 (methylammonium lead triiodide) perovskite semiconductor
system has been viewed as a blockbuster research material during the last five years …
system has been viewed as a blockbuster research material during the last five years …
Substituent effects on the binding of halides by neutral and dicationic bis (triazolium) receptors
B Nepal, S Scheiner - The Journal of Physical Chemistry A, 2015 - ACS Publications
The effects of substituent and overall charge upon the binding of a halide anion by a bis
(triazolium) receptor are studied by M06-2X DFT calculations, with the aug-cc-pVDZ basis …
(triazolium) receptor are studied by M06-2X DFT calculations, with the aug-cc-pVDZ basis …
On the existence of CO 3 2− microsolvated clusters: a theoretical study
Microsolvated clusters of multiply charged anions play a crucial role in atmospheric
chemistry and some of them were previously registered experimentally. At the same time …
chemistry and some of them were previously registered experimentally. At the same time …
Synthesis and structural trends in a series of simple tetraalkylphosphonium salts
J Gawraczyński, PJ Leszczyński, MK Cyrański… - …, 2024 - pubs.rsc.org
A series of sulfates (S) and hydrogen sulfates (HS) containing tetramethylphosphonium
(TMP), tetraethylphosphonium (TEP) and tetrabutylphosphonium (TBP) cations have been …
(TMP), tetraethylphosphonium (TEP) and tetrabutylphosphonium (TBP) cations have been …
Unusually Large Effects of Charge‐assisted C−H⋅⋅⋅F Hydrogen Bonds to Anionic Fluorine in Organic Solvents: Computational Study of 19F NMR Shifts versus …
M Kaupp, CJ Schattenberg, R Müller… - ChemistryOpen, 2022 - Wiley Online Library
A comparison of computed 19F NMR chemical shifts and experiment provides evidence for
large specific solvent effects for fluoride‐type anions interacting with the σ*(C− H) orbitals in …
large specific solvent effects for fluoride‐type anions interacting with the σ*(C− H) orbitals in …
Tautomerism, Intramolecular H-bonding, Acidity and Complexation of 2, 4-Dioxo-4-Phenylbutanoic Acid
E Khalilinia, A Ebrahimi - Physical Chemistry Research, 2019 - physchemres.org
In this work, the properties of 2, 4-dioxo-4-phenylbutanoic acid (DPBA) and some of its
derivatives have been investigated using quantum mechanical calculations in the gas phase …
derivatives have been investigated using quantum mechanical calculations in the gas phase …