Search Results - "Sandhya, Karakkadparambil Sankaran"

Revisiting the Stereochemistry of Propylene Isotactic Polymerization Reaction Mechanism on C2 Symmetric [SiH2(Ind)2ZrCH3]+ and [SiH2(Ind)2ZrCH3]+[CH3B(C6F5)3] by Karakkadparambil, Sankaran Sandhya, Koga, Nobuaki, Nagaoka, Masataka

“…The [SiH2(Ind)2ZrCH3]+ (Ind = indenyl) catalyzed stereoregularity of propylene polymerization mechanism has been investigated at M06 level of theory. Four…”
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Transformation of Metallic Ti to TiH2 Phase in the Ti/MgH2 Composite and Its Influence on the Hydrogen Storage Behavior of MgH2 by Pukazhselvan, D., Sandhya, Karakkadparambil Sankaran, Ramasamy, Devaraj, Shaula, Aliaksandr, Fagg, Duncan Paul

“…The current work explores the in‐situ formation of TiH2 additive in a Ti/MgH2 nanocomposite system. Mild mechanical milling leaves Ti chemically unchanged,…”
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Molecular dynamics and docking studies on potentially active natural phytochemicals for targeting SARS-CoV-2 main protease by Karakkadparambil Sankaran, Sandhya, Nair, Achuthsankar S.

“…In the present study, we screened eighty seven novel phytochemical compounds from four popular herbs, such as, Aegle Marmelos, Coleus Amboinicus, Aerva Lanata…”
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Synthesis and Anticancer Evaluation of Tryptanthrin‐1,2,3‐Triazole Hybrids by Meenakshy, C. B., Sruthi, Sudheendran Leena, Jayasree, E. G., Sandhya, Karakkadparambil Sankaran, Deepthi, Ani

“…ABSTRACT Synthesis of 18 tryptanthrin‐triazole hybrid molecules by employing Cu(I)‐catalyzed azide‐alkyne [3 + 2] cycloaddition (CuAAC) between tryptanthrin…”
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An Active Site Opening Mechanism in a (Pyridylamide)hafnium(IV) Ion Pair Catalyst: An Associative Mechanism by Matsumoto, Kentaro, Sandhya, Karakkadparambil Sankaran, Takayanagi, Masayoshi, Koga, Nobuaki, Nagaoka, Masataka

“…We report a molecular dynamics (MD) study on the ion pair [{N–,N,C–}­HfMe]­[MeB­(C6F5)3], which is the active species of a (pyridylamide)­hafnium­(IV) complex…”
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Probing the Most Stable Isomer of Zirconium Bis(phenoxy-imine) Cation: A Computational Investigation by Saha, Soumen, Takayanagi, Masayoshi, Matsumoto, Kentaro, Sankaran, Sandhya Karakkadparambil, Tanaka, Yuichi, Koga, Nobuaki, Nagaoka, Masataka

“…The possibility of coexistence of multiple isomers for zirconium bis­(phenoxy-imine) catalyst has been systematically studied by computational approaches. The…”
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Transformation of Metallic Ti to TiH 2 Phase in the Ti/MgH 2 Composite and Its Influence on the Hydrogen Storage Behavior of MgH 2 by Pukazhselvan, D, Sandhya, Karakkadparambil Sankaran, Ramasamy, Devaraj, Shaula, Aliaksandr, Fagg, Duncan Paul

“…The current work explores the in-situ formation of TiH additive in a Ti/MgH nanocomposite system. Mild mechanical milling leaves Ti chemically unchanged, while…”
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Revisiting the Stereochemistry of Propylene Isotactic Polymerization Reaction Mechanism on C 2 Symmetric [SiH2(Ind)2ZrCH3]+ and [SiH2(Ind)2ZrCH3]+[CH3B(C6F5)3] by Sandhya, Karakkadparambil Sankaran, Koga, Nobuaki, Nagaoka, Masataka

“…The [SiH2(Ind)2ZrCH3]+ (Ind = indenyl) catalyzed stereoregularity of propylene polymerization mechanism has been investigated at M06 level of theory. Four…”
Get full text