• Publications
  • Influence
Definition of the hydrogen bond (IUPAC Recommendations 2011)
A novel definition for the hydrogen bond is recommended here. It takes into account the theoretical and experimental knowledge acquired over the past century. This definition insists on someExpand
Defining the hydrogen bond: An account (IUPAC Technical Report)
The term “hydrogen bond” has been used in the literature for nearly a century now. While its importance has been realized by physicists, chemists, biologists, and material scientists, there has beenExpand
Definition of the Hydrogen Bond
Department of Inorganic and Physical Chemistry, Indian Institute of 8 Science, Bangalore. 560012, India; Solid State and Structural 9 Chemistry Unit, Indian Institute of Science, Bangalore. 560012,Expand
Low-J rotational spectra, internal rotation, and structures of several benzene-water dimers
Low J (0–4) rotational transitions have been observed for the benzene–water dimer of which high J (≥4) transitions were reported recently by Blake [Science 257, 942 (1992)]. Our experiments used aExpand
Hydrogen bonding with a hydrogen bond: The methane-water complex and the penta-coordinate carbon
Ab initio and atoms in molecules (AIM) theoretical studies have been used to show that in a 1: 1 complex formed between CH4 and H2O, CH4 acting as a hydrogen bond acceptor leads to the global minimumExpand
Defining the hydrogen bond: an account
The term 'Hydrogen Bond' has been used in the literature for nearly a century now. While its importance has been realized by physicists, chemists, biologists and material scientists, there has been aExpand
Direct infrared absorption spectroscopy of benzene dimer.
TLDR
The experimental results have not provided any direct evidence for the presence of the parallel displaced geometry, the main objective of the present work, as predicted by theoretical calculations. Expand
H2O-CH4 and H2S-CH4 complexes: a direct comparison through molecular beam experiments and ab initio calculations.
TLDR
The combination of experimental and theoretical information has established the ground for the understanding of the nature of the interaction and allows for its basic components to be modelled, including charge transfer, in these weakly bound systems. Expand
Infrared chemiluminescence studies of the reactions of H atoms with CCl3, CF2Cl, and CH2CH2Cl radicals at 300 and 475 K: recombination–elimination vs. abstraction mechanisms
The reactions of H atoms with CCl3, CF2Cl, and CH2CH2Cl radicals have been studied in a flow reactor at 300 and 475 K by observation of the infrared emission from the HCl and HF products. These rea...
...
1
2
3
4
5
...