Kalathingal T. Giju

Vrije Universiteit Brussel — Belgium

Physics and Astronomy · Physical Sciences

12h-index482citations23works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(11), Inorganic Fluorides and Related Compounds(7), Organometallic Complex Synthesis and Catalysis(6), Synthesis and characterization of novel inorganic/organometallic compounds(3), Hydrogen Storage and Materials(3)

Publications23 total

Comprehensive Study of Density Functional Theory Based Properties for Group 14 Atoms and Functional Groups, −XY<sub>3</sub> (X = C, Si, Ge, Sn, Pb, Element 114; Y = CH<sub>3</sub>, H, F, Cl, Br, I, At)
The Journal of Physical Chemistry A·2005· 48 cited
The Li<sup>+</sup> CationThe Descendant of H<sup>+</sup> or an Ancestor of Na<sup>+</sup>? The Properties of Li<sup>+</sup>Ar<i><sub>n</sub></i> (<i>n</i> = 1−6) Clusters
The Journal of Physical Chemistry A·2004· 8 cited
The micro-solvation of Na+: theoretical study of bonding characteristics in weakly bonded Ar Na+ (n=1–8) clusters
Chemical Physics Letters·2004· 15 cited
The micro-solvation of Na+: theoretical study of bonding characteristics in weakly bonded ArnNa+ (n=1?8) clusters
Chemical Physics Letters·2004
Stabilization of Tricoordinate Pyramidal Boron: Theoretical Studies on CBSiH<sub>5</sub>, BSi<sub>2</sub>H<sub>5</sub>, CBGeH<sub>5</sub>, and CBSnH<sub>5</sub>.
ChemInform·2003
Stabilization of Tricoordinate Pyramidal Boron: Theoretical Studies on CBSiH<sub>5</sub>, BSi<sub>2</sub>H<sub>5</sub>, CBGeH<sub>5</sub>, and CBSnH<sub>5</sub>
Angewandte Chemie International Edition·2003· 30 cited
Stabilization of Tricoordinate Pyramidal Boron: Theoretical Studies on CBSiH<sub>5</sub>, BSi<sub>2</sub>H<sub>5</sub>, CBGeH<sub>5</sub>, and CBSnH<sub>5</sub>
Angewandte Chemie·2003· 8 cited
A theoretical study of protonated argon clusters: ArnH+ (n=1–7)
The Journal of Chemical Physics·2002· 31 cited
Effect of coordinated water on the mechanism of neutral hydrolysis of silicon dioxide in gas phase: a first principles study
Journal of Molecular Structure THEOCHEM·2002· 2 cited
Dependence of the Structure and Stability of Cyclocumulenes and Cyclopropenes on the Replacement of the CH<sub>2</sub> Group by Titanocene and Zirconocene: A Density Functional Theory Study
Organometallics·2002· 59 cited
Structure and Bonding of Transition Metal−Boryl Compounds. Theoretical Study of [(PH<sub>3</sub>)<sub>2</sub>(CO)ClOs−BR<sub>2</sub>] and [(PH<sub>3</sub>)<sub>2</sub>(CO)<sub>2</sub>ClOs−BR<sub>2</sub>] (BR<sub>2</sub> = BH<sub>2</sub>, BF<sub>2</sub>, B(OH)<sub>2</sub>, B(OCHCHO), Bcat)
Inorganic Chemistry·2000· 41 cited
An ab initio and matrix isolation infrared study of the 1:1 C2H2–CHCl3 adduct
Journal of Molecular Structure·1999· 51 cited
X-ray crystallographic and theoretical studies of substituted phenyl 3,5-di[N-methyl] carbamoyl-1,4-dihydropyridines: Targets for Ca2+ antagonist
Journal of Chemical Crystallography·1999· 7 cited
Isolobal Relationships
Encyclopedia of Computational Chemistry·1998
Novel Mechanism for Interesting C−C Coupling and Cleavage Reactions and Control of Thermodynamic Stability Involving [L<sub>2</sub>M(μ-CCR)<sub>2</sub>ML<sub>2</sub>] and [L<sub>2</sub>M(μ-RCC-CCR)ML<sub>2</sub>] Complexes (M = Ti, Zr; L = η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>, Cl, H; R = H, F, CN):  A Theoretical Study<sup>1</sup>
Journal of the American Chemical Society·1998· 63 cited
Tautomeric Rearrangements in Mono- and Dichalcogenide Analogs of Formic Acid, HC(X)YH (X, Y = O, S, Se, Te):  A Theoretical Study
The Journal of Physical Chemistry A·1997· 38 cited
To Couple or Not To Couple: The Dilemma of Acetylide Carbons in [(η<sup>5</sup>‐C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>M(μ‐CCR)<sub>2</sub>M(η<sup>5</sup>−C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>] Complexes (M Ti, Zr)—A Theoretical Study for R H, F
Angewandte Chemie International Edition in English·1997· 40 cited
Organometallic Analogs of the Cyclobutadiene Dication:  An Ab Initio MO and Density Functional Study of the Symmetrical Planar and Puckered [WL<sub>2</sub>(μ-CR)]<sub>2</sub> Complexes (L = H, Me, F, OH; R = H, F, Me)
Organometallics·1997· 9 cited
Kuppeln, ja oder nein? — das Dilemma von Acetylidkohlenstoffzentren in [(η<sup>5</sup>‐C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>M(μ‐CCR)<sub>2</sub>M(η<sup>5</sup>‐C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>]‐Komplexen (M = Ti, Zr); eine theoretische Untersuchung für R = H, F
Angewandte Chemie·1997· 15 cited
Ionic to covalent bonding: a density functional theory study of linear and bent X<sub>2</sub>Y<sub>3</sub> monomers (X = B, Al, Ga, In; Y = O, S, Se)
Electronic Journal of Theoretical Chemistry·1997· 14 cited
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Frequent Co-authors

Eluvathingal D. Jemmis(15), Jerzy Leszczyński(6), Ashwini K. Phukan(4), Szczepan Roszak(3), K. Sundararajan(1), K. Sankaran(1), V.M. Vidya(1), K. S. Viswanathan(1), Frank De Proft(1), Paul Geerlings(1), F. Matthias Bickelhaupt(1), Gernot Frenking(1), Robert W. Góra(1), Jarosław J. Szymczak(1), M. Bidya Sagar(1), Κ. Ravikumar(1), Sayed Hasan Mehdi(1), Y. S. SADANANDAM(1)