Volume 128, Issue 10

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October 2016

Chemical Bonding

Issue Editors:

Elangannan Arunan,
Eluvathingal D. Jemmis,
V. Subramanian

18 articles in this issue

One hundred years of Lewis Chemical Bond!
E ARUNAN
E D JEMMIS
V SUBRAMANIAN
BriefCommunication 01 October 2016 Pages: 1517 - 1518
Bonding and Reactivity Patterns from Electrostatic Landscapes of Molecules
SHRIDHAR R GADRE
ANMOL KUMAR
OriginalPaper 04 October 2016 Pages: 1519 - 1526
Bader’s Theory of Atoms in Molecules (AIM) and its Applications to Chemical Bonding
P SHYAM VINOD KUMAR
V RAGHAVENDRA
V SUBRAMANIAN
OriginalPaper 03 October 2016 Pages: 1527 - 1536
A computational study on structure, stability and bonding in Noble Gas bound metal Nitrates, Sulfates and Carbonates (Metal = Cu, Ag, Au)
MANAS GHARA
SUDIP PAN
PRATIM KUMAR CHATTARAJ
OriginalPaper 13 September 2016 Pages: 1537 - 1548
Matrix isolation infrared spectra of O-H ⋯ π Hydrogen bonded complexes of Acetic acid and Trifluoroacetic acid with Benzene
PUJARINI BANERJEE
INDRANI BHATTACHARYA
TAPAS CHAKRABORTY
OriginalPaper 26 September 2016 Pages: 1549 - 1555
The elusive ≡C-H⋯O complex in the hydrogen bonded systems of Phenylacetylene: A Matrix Isolation Infrared and Ab Initio Study
GINNY KARIR
MARIYAM FATIMA
K S VISWANATHAN
OriginalPaper 28 September 2016 Pages: 1557 - 1569
Why are Hydrogen Bonds Directional?
ABHISHEK SHAHI
ELANGANNAN ARUNAN
OriginalPaper 13 September 2016 Pages: 1571 - 1577
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
MYSORE S PAVAN
TAYUR N GURU ROW
OriginalPaper 28 September 2016 Pages: 1579 - 1587
Understanding the effect of substitution on the formation of S. . .F chalcogen bond
RAHUL SHUKLA
DEEPAK CHOPRA
OriginalPaper 29 September 2016 Pages: 1589 - 1596
The Effect of Hydration on the Cation-π Interaction Between Benzene and Various Cations
VIKASH DHINDHWAL
N SATHYAMURTHY
OriginalPaper 26 September 2016 Pages: 1597 - 1606
Carbene →N⁺ Coordination Bonds in Drugs: A Quantum Chemical Study
DEEPIKA KATHURIA
MINHAJUL ARFEEN
PRASAD V BHARATAM
OriginalPaper 01 October 2016 Pages: 1607 - 1614
Role of Lanthanide-Ligand bonding in the magnetization relaxation of mononuclear single-ion magnets: A case study on Pyrazole and Carbene ligated Ln^{I
I
I}(Ln=Tb, Dy, Ho, Er) complexes
TULIKA GUPTA
GUNASEKARAN VELMURUGAN
GOPALAN RAJARAMAN
OriginalPaper 26 September 2016 Pages: 1615 - 1630
Structural, vibrational and bonding properties of hydro-nitrogen solids under high pressure: An ab-initio study
G VAITHEESWARAN
N YEDUKONDALU
B MOSES ABRAHAM
OriginalPaper 26 September 2016 Pages: 1631 - 1639
Anomalous Lithium Adsorption Propensity of Monolayer Carbonaceous Materials: A Density Functional Study
SWATI PANIGRAHI
DEIVASIGAMANI UMADEVI
G NARAHARI SASTRY
OriginalPaper 03 October 2016 Pages: 1641 - 1649
Role of Ti doping and Al and B vacancies in the dehydrogenation of Al(BH₄)₃
INDRANI CHOUDHURI
ARUP MAHATA
BISWARUP PATHAK
OriginalPaper 05 September 2016 Pages: 1651 - 1662
Computational design of Oligo-sulfuranes
CHAKKINGAL P PRIYAKUMARI
ELUVATHINGAL D JEMMIS
OriginalPaper 13 September 2016 Pages: 1663 - 1669
Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework
SUDIP SASMAL
KAUSHIK TALUKDAR
SOURAV PAL
OriginalPaper 03 October 2016 Pages: 1671 - 1675
Molecular electrostatic potential analysis of non-covalent complexes
PADINJARE VEETIL BIJINA
CHERUMUTTATHU H SURESH
OriginalPaper 26 September 2016 Pages: 1677 - 1686

Volume 128, Issue 10

One hundred years of Lewis Chemical Bond!

Bonding and Reactivity Patterns from Electrostatic Landscapes of Molecules

Bader’s Theory of Atoms in Molecules (AIM) and its Applications to Chemical Bonding

A computational study on structure, stability and bonding in Noble Gas bound metal Nitrates, Sulfates and Carbonates (Metal = Cu, Ag, Au)

Matrix isolation infrared spectra of O-H ⋯ π Hydrogen bonded complexes of Acetic acid and Trifluoroacetic acid with Benzene

The elusive ≡C-H⋯O complex in the hydrogen bonded systems of Phenylacetylene: A Matrix Isolation Infrared and Ab Initio Study

Why are Hydrogen Bonds Directional?

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

Understanding the effect of substitution on the formation of S. . .F chalcogen bond

The Effect of Hydration on the Cation-π Interaction Between Benzene and Various Cations

Carbene →N⁺ Coordination Bonds in Drugs: A Quantum Chemical Study

Role of Lanthanide-Ligand bonding in the magnetization relaxation of mononuclear single-ion magnets: A case study on Pyrazole and Carbene ligated Ln^{I
I
I}(Ln=Tb, Dy, Ho, Er) complexes

Structural, vibrational and bonding properties of hydro-nitrogen solids under high pressure: An ab-initio study

Anomalous Lithium Adsorption Propensity of Monolayer Carbonaceous Materials: A Density Functional Study

Role of Ti doping and Al and B vacancies in the dehydrogenation of Al(BH₄)₃

Computational design of Oligo-sulfuranes

Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework

Molecular electrostatic potential analysis of non-covalent complexes

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