Kumar Vanka
Kumar Vanka
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TitleCited byYear
Density functional study on activation and ion-pair formation in group iv metallocene and related olefin polymerization catalysts
MSW Chan, K Vanka, CC Pye, T Ziegler
Organometallics 18 (22), 4624-4636, 1999
1301999
A density functional study of ion-pair formation and dissociation in the reaction between boron-and aluminum-based Lewis acids with (1, 2-Me2Cp) 2ZrMe2
K Vanka, MSW Chan, CC Pye, T Ziegler
Organometallics 19 (10), 1841-1849, 2000
1202000
Theoretical study of the interactions between cations and anions in group IV transition-metal catalysts for single-site homogeneous olefin polymerization
Z Xu, K Vanka, T Firman, A Michalak, E Zurek, C Zhu, T Ziegler
Organometallics 21 (12), 2444-2453, 2002
972002
Influence of the Counterion MeB(C6F5)3- and Solvent Effects on Ethylene Polymerization Catalyzed by [(CpSiMe2NR)TiMe]+:  A Combined Density …
Z Xu, K Vanka, T Ziegler
Organometallics 23 (1), 104-116, 2004
882004
Enantioselective N‐Heterocyclic Carbene‐Catalyzed Annulations of 2‐Bromoenals with 1, 3‐Dicarbonyl Compounds and Enamines via Chiral α, β‐Unsaturated Acylazoliums
SR Yetra, A Bhunia, A Patra, MV Mane, K Vanka, AT Biju
Advanced Synthesis & Catalysis 355 (6), 1089-1097, 2013
792013
Decoding the morphological diversity in two dimensional crystalline porous polymers by core planarity modulation
A Halder, S Kandambeth, BP Biswal, G Kaur, NC Roy, M Addicoat, ...
Angewandte Chemie International Edition 55 (27), 7806-7810, 2016
682016
A density functional study of the competing processes occurring in solution during ethylene polymerization by the catalyst (1, 2-Me2Cp) 2ZrMe+
K Vanka, T Ziegler
Organometallics 20 (5), 905-913, 2001
642001
Structural diversity in partially fluorinated metal organic frameworks (F-MOFs) composed of divalent transition metals, 1, 10-phenanthroline, and fluorinated carboxylic acid
P Pachfule, C Dey, T Panda, K Vanka, R Banerjee
Crystal growth & design 10 (3), 1351-1363, 2010
532010
The intrinsic conformational features of amino acids from a protein coil library and their applications in force field development
F Jiang, W Han, YD Wu
Physical chemistry chemical physics 15 (10), 3413-3428, 2013
482013
C6F5-Group Transfer from [MeB (C6F5) 3]-to the Metal Center of L2MMe+ (M= Ti, Zr) as a Deactivation Pathway in Olefin Polymerization Catalysis: A Combined Density Functional …
T Wondimagegn, Z Xu, K Vanka, T Ziegler
Organometallics 23 (16), 3847-3852, 2004
472004
DFT Study of Lewis Base Interactions with the MgCl2 Surface in the Ziegler−Natta Catalytic System: Expanding the Role of the Donors
K Vanka, G Singh, D Iyer, VK Gupta
The Journal of Physical Chemistry C 114 (37), 15771-15781, 2010
452010
Transition metal free catalytic hydroboration of aldehydes and aldimines by amidinato silane
MK Bisai, S Pahar, T Das, K Vanka, SS Sen
Dalton Transactions 46 (8), 2420-2424, 2017
412017
A Combined Density Functional Theory and Molecular Mechanics (QM/MM) Study of Single-Site Ethylene Polymerization Catalyzed by [(C6H5N CH) C4H3N] 2-RM+ {M= Ti, Zr} in the …
K Vanka, Z Xu, T Ziegler
Organometallics 23 (12), 2900-2910, 2004
352004
Iodine-catalyzed aromatization of tetrahydrocarbazoles and its utility in the synthesis of glycozoline and murrayafoline A: a combined experimental and computational investigation
V Humne, Y Dangat, K Vanka, P Lokhande
Organic & biomolecular chemistry 12 (27), 4832-4836, 2014
332014
A porous porphyrin organic polymer (PPOP) for visible light triggered hydrogen production
G Mukherjee, J Thote, HB Aiyappa, S Kandambeth, S Banerjee, K Vanka, ...
Chemical Communications 53 (32), 4461-4464, 2017
322017
1, 8-Diazabicyclo [5.4. 0] undec-7-ene (DBU): a highly efficient catalyst in glycerol carbonate synthesis
MK Munshi, SM Gade, MV Mane, D Mishra, S Pal, K Vanka, VH Rane, ...
Journal of Molecular Catalysis A: Chemical 391, 144-149, 2014
312014
Stereochemical control in the reduction of 2-Chromanols
K Li, K Vanka, WH Thompson, JA Tunge
Organic letters 8 (21), 4711-4714, 2006
282006
A combined density functional theory and molecular mechanics (QM/MM) study of single site ethylene polymerization catalyzed by [Cp {NC (t-Bu) 2} TiR+] in the presence of the …
K Vanka, Z Xu, T Ziegler
Canadian journal of chemistry 81 (11), 1413-1429, 2003
272003
A Combined Experimental and Density Functional Theory Study on the Pd‐Mediated Cycloisomerization of o‐Alkynylnitrobenzenes – Synthesis of Isatogens and …
CV Ramana, P Patel, K Vanka, B Miao, A Degterev
European Journal of Organic Chemistry 2010 (31), 5955-5966, 2010
262010
Aspects of coordination polymerization in heterogeneous and homogeneous catalysis. A computational survey
K Vanka, Z Xu, M Seth, T Ziegler
Topics in catalysis 34 (1-4), 143-164, 2005
262005
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