| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A computational study on structure, stability and bonding in Noble Gas bound metal Nitrates, Sulfates and Carbonates (Metal = Cu, Ag, Au)
|
GHARA, MANAS
|
|
2016
|
128 |
10 |
p. 1537-1548
|
article
|
| 2 |
Analysis of an unusual hetero-halogen bonded trimer using charge density analysis: A case of concerted type I Br⋯Br and type II Br⋯Cl interactions
|
PAVAN, MYSORE S
|
|
2016
|
128 |
10 |
p. 1579-1587
|
article
|
| 3 |
Anomalous Lithium Adsorption Propensity of Monolayer Carbonaceous Materials: A Density Functional Study
|
PANIGRAHI, SWATI
|
|
2016
|
128 |
10 |
p. 1641-1649
|
article
|
| 4 |
Bader’s Theory of Atoms in Molecules (AIM) and its Applications to Chemical Bonding
|
KUMAR, P SHYAM VINOD
|
|
2016
|
128 |
10 |
p. 1527-1536
|
article
|
| 5 |
Bonding and Reactivity Patterns from Electrostatic Landscapes of Molecules
|
GADRE, SHRIDHAR R
|
|
2016
|
128 |
10 |
p. 1519-1526
|
article
|
| 6 |
Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework
|
SASMAL, SUDIP
|
|
2016
|
128 |
10 |
p. 1671-1675
|
article
|
| 7 |
Carbene →N+ Coordination Bonds in Drugs: A Quantum Chemical Study
|
KATHURIA, DEEPIKA
|
|
2016
|
128 |
10 |
p. 1607-1614
|
article
|
| 8 |
Computational design of Oligo-sulfuranes
|
PRIYAKUMARI, CHAKKINGAL P
|
|
2016
|
128 |
10 |
p. 1663-1669
|
article
|
| 9 |
Matrix isolation infrared spectra of O-H ⋯ π Hydrogen bonded complexes of Acetic acid and Trifluoroacetic acid with Benzene
|
BANERJEE, PUJARINI
|
|
2016
|
128 |
10 |
p. 1549-1555
|
article
|
| 10 |
Molecular electrostatic potential analysis of non-covalent complexes
|
BIJINA, PADINJARE VEETIL
|
|
2016
|
128 |
10 |
p. 1677-1686
|
article
|
| 11 |
One hundred years of Lewis Chemical Bond!
|
ARUNAN, E
|
|
2016
|
128 |
10 |
p. 1517-1518
|
article
|
| 12 |
Role of Lanthanide-Ligand bonding in the magnetization relaxation of mononuclear single-ion magnets: A case study on Pyrazole and Carbene ligated LnIII(Ln=Tb, Dy, Ho, Er) complexes
|
GUPTA, TULIKA
|
|
2016
|
128 |
10 |
p. 1615-1630
|
article
|
| 13 |
Role of Ti doping and Al and B vacancies in the dehydrogenation of Al(BH4)3
|
CHOUDHURI, INDRANI
|
|
2016
|
128 |
10 |
p. 1651-1662
|
article
|
| 14 |
Structural, vibrational and bonding properties of hydro-nitrogen solids under high pressure: An ab-initio study
|
VAITHEESWARAN, G
|
|
2016
|
128 |
10 |
p. 1631-1639
|
article
|
| 15 |
The Effect of Hydration on the Cation-π Interaction Between Benzene and Various Cations
|
DHINDHWAL, VIKASH
|
|
2016
|
128 |
10 |
p. 1597-1606
|
article
|
| 16 |
The elusive ≡C-H⋯O complex in the hydrogen bonded systems of Phenylacetylene: A Matrix Isolation Infrared and Ab Initio Study
|
KARIR, GINNY
|
|
2016
|
128 |
10 |
p. 1557-1569
|
article
|
| 17 |
Understanding the effect of substitution on the formation of S. . .F chalcogen bond
|
SHUKLA, RAHUL
|
|
2016
|
128 |
10 |
p. 1589-1596
|
article
|
| 18 |
Why are Hydrogen Bonds Directional?
|
SHAHI, ABHISHEK
|
|
2016
|
128 |
10 |
p. 1571-1577
|
article
|
Journal description