Comprehensive Study of Density Functional Theory Based Properties for Group 14 Atoms and Functional Groups, −XY3 (X = C, Si, Ge, Sn, Pb, Element 114; Y = CH3, H, F, Cl, Br, I, At)... von Giju, Kalathingal T, De Proft, Frank, Geerlings, Paul

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Dependence of the Structure and Stability of Cyclocumulenes and Cyclopropenes on the Replacement of the CH2 Group by Titanocene and Zirconocene: A Density Functional Theory Study von Jemmis, Eluvathingal D, Phukan, Ashwini Kumar, Giju, Kalathingal T

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Structure and Bonding of Transition Metal−Boryl Compounds. Theoretical Study of [(PH3)2(CO)ClOs−BR2] and [(PH3)2(CO)2ClOs−BR2] (BR2 = BH2, BF2, B(OH)2, B(OCHCHO), Bcat) von Giju, Kalathingal T, Bickelhaupt, F. Matthias, Frenking, Gernot

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Novel Mechanism for Interesting C−C Coupling and Cleavage Reactions and Control of Thermodynamic Stability Involving [L2M(μ-CCR)2ML2] and [L2M(μ-RCC-CCR)ML2] Complexes (M = Ti, Zr;... von Jemmis, Eluvathingal D, Giju, Kalathingal T

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The Li+ CationThe Descendant of H+ or an Ancestor of Na+? The Properties of Li+Ar n (n = 1−6) Clusters von Szymczak, Jaroslaw J, Giju, Kalathingal T, Roszak, Szczepan, Leszczynski, Jerzy

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Stabilization of Tricoordinate Pyramidal Boron: Theoretical Studies on CBSiH5, BSi2H5, CBGeH5, and CBSnH5 von Giju, Kalathingal T., Phukan, Ashwini Kumar, Jemmis, Eluvathingal D.

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Tautomeric Rearrangements in Mono- and Dichalcogenide Analogs of Formic Acid, HC(X)YH (X, Y = O, S, Se, Te):  A Theoretical Study von Jemmis, Eluvathingal D., Giju, Kalathingal T., Leszczynski, Jerzy

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Organometallic Analogs of the Cyclobutadiene Dication:  An Ab Initio MO and Density Functional Study of the Symmetrical Planar and Puckered [WL2(μ-CR)]2 Complexes (L = H, Me, F, OH... von Jemmis, Eluvathingal D, Giju, Kalathingal T

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A theoretical study of protonated argon clusters: ArnH+ (n=1–7) von Giju, Kalathingal T., Roszak, Szczepan, Leszczynski, Jerzy

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Comprehensive Study of Density Functional Theory Based Properties for Group 14 Atoms and Functional Groups, −XY 3 (X = C, Si, Ge, Sn, Pb, Element 114; Y = CH 3 , H, F, Cl, Br, I, A... von Giju, Kalathingal T., De Proft, Frank, Geerlings, Paul

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The Li + CationThe Descendant of H + or an Ancestor of Na + ? The Properties of Li + Ar n ( n = 1−6) Clusters von Szymczak, Jaroslaw J., Giju, Kalathingal T., Roszak, Szczepan, Leszczynski, Jerzy

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The micro-solvation of Na+: theoretical study of bonding characteristics in weakly bonded ArnNa+ (n=1–8) clusters von Giju, Kalathingal T., Roszak, Szczepan, Gora, Robert W., Leszczynski, Jerzy

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Effect of coordinated water on the mechanism of neutral hydrolysis of silicon dioxide in gas phase: a first principles study von Giju, Kalathingal T

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The micro-solvation of Na +: theoretical study of bonding characteristics in weakly bonded Ar nNa + ( n=1–8) clusters von Giju, Kalathingal T., Roszak, Szczepan, Gora, Robert W., Leszczynski, Jerzy

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Stabilization of Tricoordinate Pyramidal Boron: Theoretical Studies on CBSiH 5 , BSi 2 H 5 , CBGeH 5 , and CBSnH 5 von Giju, Kalathingal T., Phukan, Ashwini Kumar, Jemmis, Eluvathingal D.

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The Li+ CationThe Descendant of H+ or an Ancestor of Na+? The Properties of Li+Arn (n = 1−6) Clusters von SZYMCZAK, Jaroslaw J., GIJU, Kalathingal T., ROSZAK, Szczepan, LESZCZYNSKI, Jerzy

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Dependence of the Structure and Stability of Cyclocumulenes and Cyclopropenes on the Replacement of the CH 2 Group by Titanocene and Zirconocene: A Density Functional Theory Study von Jemmis, Eluvathingal D., Phukan, Ashwini Kumar, Giju, Kalathingal T.

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Novel Mechanism for Interesting C−C Coupling and Cleavage Reactions and Control of Thermodynamic Stability Involving [L 2 M(μ-CCR) 2 ML 2 ] and [L 2 M(μ-RCC-CCR)ML 2 ] Complexes (M... von Jemmis, Eluvathingal D., Giju, Kalathingal T.

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Stabilization of Tricoordinate Pyramidal Boron: Theoretical Studies on CBSiH 5 , BSi 2 H 5 , CBGeH 5 , and CBSnH 5 von Giju, Kalathingal T., Phukan, Ashwini Kumar, Jemmis, Eluvathingal D.

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Stabilization of Tricoordinate Pyramidal Boron: Theoretical Studies on CBSiH5, BSi2H5, CBGeH5, and CBSnH5 von Giju, Kalathingal T., Phukan, Ashwini Kumar, Jemmis, Eluvathingal D.

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