Profiles
Research Units
Publications
Sign Up
Faculty Login
X
114 Publications
31 Journals
Bhabani S. Mallik
Professor
Department of Chemistry
bhabani@chy.iith.ac.in (Work)
Follow
Publications - 114
Overview
Publications (114)
Network (3)
Publications (114)
Sort by Year (most recent)
Sort by Year (most recent)
Sort by Year (oldest first)
Sort by Most Cited
Sort by Recently Added
Sort (A-Z)
Sort (Z-A)
Articles
An ab initio molecular dynamics study of water-carbon tetrachloride liquid-liquid interface: Nature of interfacial structure, hydrogen bonds and dynamics
D. Chakraborty
,
Bhabani S. Mallik
and
A. Chandra
2014 | Indian Academy of Sciences
Articles
Effects of temperature on the structure and dynamics of aqueous mixtures of N,N-dimethylformamide
S. Biswas
and
Bhabani S. Mallik
2014 | American Chemical Society
Articles
N-versus P-co-ordination for N-B and P-B bonded BH3 adducts for various phosphinamine ligands - An experimental and computational study
R.K. Kottalanka
,
P. Laskar
,
...
,
Bhabani S. Mallik
and
Tarun Kanti Panda
(5 authors)
2013 | Elsevier B.V.
Articles
A first principles simulation study of vibrational spectral diffusion in aqueous NaBr solutions: Dynamics of water in ion hydration shells
A. Karmakar
,
J.R. Choudhuri
,
...
,
Bhabani S. Mallik
and
A. Chandra
(5 authors)
2013
Articles
A first-principles theoretical study of hydrogen-bond dynamics and vibrational spectral diffusion in aqueous ionic solution: Water in the hydration shell of a fluoride ion
A. Chandra
,
J.R. Choudhuri
,
...
,
Bhabani S. Mallik
(5 authors)
2013
Articles
Understanding the solubility of triamino-trinitrobenzene in hydrous tetramethylammonium fluoride: A first principles molecular dynamics simulation study
Bhabani S. Mallik
,
I.-F.W. Kuo
,
...
,
J.I. Siepmann
(4 authors)
2012
Articles
Hydrogen bond dynamics and vibrational spectral diffusion in aqueous solution of acetone: A first principles molecular dynamics study
Bhabani S. Mallik
and
A. Chandra
2012 | Springer India
Download
PDF
Postprint
Articles
An ab initio molecular dynamics study of supercritical aqueous ionic solutions: Hydrogen bonding, rotational dynamics and vibrational spectral diffusion
Bhabani S. Mallik
and
A. Chandra
2011
Articles
Thermodynamic, structural and transport properties of tetramethyl ammonium fluoride: First principles molecular dynamics simulations of an unusual ionic liquid
Bhabani S. Mallik
and
J.I. Siepmann
2010 | American Chemical Society
Articles
Vibrational spectral diffusion and hydrogen bond dynamics in heavy water from first principles
Bhabani S. Mallik
,
A. Semparithi
and
A. Chandra
2008
Articles
A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl- ions
Bhabani S. Mallik
,
A. Semparithi
and
A. Chandra
2008
Articles
Vibrational spectral diffusion in supercritical D2O from first principles: An interplay between the dynamics of hydrogen bonds, dangling OD groups, and inertial rotation
Bhabani S. Mallik
and
A. Chandra
2008
Articles
An ab initio molecular dynamics study of the frequency dependence of rotational motion in liquid water
Bhabani S. Mallik
and
A. Chandra
2008
Articles
Hydrogen bond and residence dynamics of ion-water and water-water pairs in supercritical aqueous ionic solutions: Dependence on ion size and density
Bhabani S. Mallik
and
A. Chandra
2006
Showing 101-114 of 114 results
prev
1
2
3
4
5
6
next
Get all the updates from Bhabani S. Mallik
Follow