Vanka, Kumar -: шукати на сайті Z-Library

Mane, Manoj V., Rizvi, Masood A., Vanka, Kumar

Рік:

2014

Мова:

english

Файл:

PDF, 1.77 MB

english, 2014

Computational Study of Metal Free Alcohol Dehydrogenation Employing Frustrated Lewis Pairs

Журнал:

Journal of Organic Chemistry

Рік:

2015

Мова:

english

Файл:

PDF, 4.96 MB

english, 2015

Rise of an argon bubble in liquid steel in the presence of a transverse magnetic field

Jin, K., Kumar, P., Vanka, S. P., Thomas, B. G.

Журнал:

Physics of Fluids

Рік:

2016

Мова:

english

Файл:

PDF, 11.35 MB

english, 2016

A new approximate method for the stochastic simulation of chemical systems: The representative reaction approach

Shantanu Kadam, Kumar Vanka

Журнал:

Journal of Computational Chemistry

Рік:

2012

Мова:

english

Файл:

PDF, 2.29 MB

english, 2012

A catalytic and DFT study of selective ethylene oligomerization by nickel(II) oxime-based complexes

Tayade, Kamlesh N., Mane, Manoj V., Sen, Suman, Murthy, C.N., Tembe, Gopal L., Pillai, S. Muthukumaru, Vanka, Kumar, Mukherjee, Soumen

Журнал:

Journal of Molecular Catalysis A: Chemical

Рік:

2013

Мова:

english

Файл:

PDF, 836 KB

english, 2013

1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU): A highly efficient catalyst in glycerol carbonate synthesis

Munshi, Mudassir K., Gade, Swapna M., Mane, Manoj V., Mishra, Deepti, Pal, Sourav, Vanka, Kumar, Rane, Vilas H., Kelkar, Ashutosh A.

Журнал:

Journal of Molecular Catalysis A: Chemical

Рік:

2014

Мова:

english

Файл:

PDF, 1.74 MB

english, 2014

Proposing Efficient New Pendant Group Polymer Electrolyte Membranes for Fuel Cells: A Computational Study

Mane, Manoj V., Vanka, Kumar

Журнал:

The Journal of Physical Chemistry C

Рік:

2014

Мова:

english

Файл:

PDF, 2.28 MB

english, 2014

The accounting of noise to solve the problem of negative populations in approximate accelerated stochastic simulations

Kadam, Shantanu, Vanka, Kumar

Журнал:

RSC Advances

Рік:

2014

Мова:

english

Файл:

PDF, 1.42 MB

english, 2014

Stereochemical Control in the Reduction of 2-Chromanols

Li, Kelin, Vanka, Kumar, Thompson, Ward H., Tunge, Jon A.

Журнал:

Organic Letters

Рік:

2006

Мова:

english

Файл:

PDF, 109 KB

english, 2006

Small Molecule Activation by Constrained Phosphorus Compounds: Insights from Theory

Pal, Amrita, Vanka, Kumar

Журнал:

Kumawat, Jugal, Gupta, Virendra Kumar, Vanka, Kumar

Рік:

2015

Мова:

english

Файл:

PDF, 1.39 MB

english, 2015

Effect of Donors on the Activation Mechanism in Ziegler-Natta Catalysis: A Computational Study

Журнал:

ChemCatChem

Рік:

2016

Мова:

english

Файл:

PDF, 1.53 MB

english, 2016

Ameliorating the In vivo Antimalarial Efficacy of Artemether using Nanostructured Lipid Carriers

Ravisankar, Vanka, Kuppusamy, Gowthamarajan, Simhadri, Praveen Kumar, Baruah, Uday Krishna, Karri, Veera Venkata Satyanarayana Reddy, Pandey, Vimal, Prakash Babu, Phanithi

Журнал:

Journal of Microencapsulation

Рік:

2018

Мова:

english

Файл:

PDF, 1.53 MB

english, 2018

Understanding Ziegler–Natta catalysis through your laptop

Raj, K. Vipin, Vanka, Kumar

Журнал:

Resonance

Рік:

2017

Мова:

english

Файл:

PDF, 364 KB

english, 2017

Silylene induced cooperative B–H bond activation and unprecedented aldehyde C–H bond splitting with amidinate ring expansion

Roesky, Herbert W, Swamy, V S. V. S. N., Vanka, Kumar, Raj, K. Vipin, Sen, Sakya Singha

Журнал:

Рік:

2019

Мова:

english

Файл:

PDF, 617 KB

english, 2019

Lithium compounds as single site catalysts for hydroboration of alkenes and alkynes

Bisai, Milan Kumar, Yadav, Sandeep, Das, Tamal, Vanka, Kumar, Sen, Sakya Singha

Журнал:

European Journal of Organic Chemistry

Рік:

2019

Мова:

english

Файл:

PDF, 1.10 MB

english, 2019

A Combined Experimental and Density Functional Theory Study on the Pd-Mediated Cycloisomerization of o-Alkynylnitrobenzenes – Synthesis of Isatogens and Their Evaluation as Modulators of ROS-Mediated Cell Death

Chepuri V. Ramana, Pitambar Patel, Kumar Vanka, Benchun Miao, Alexei Degterev

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 1.02 MB

english, 2010

A Combined Experimental and Density Functional Theory Study on the Pd-Mediated Cycloisomerization of o-Alkynylnitrobenzenes – Synthesis of Isatogens and Their Evaluation as Modulators of ROS-Mediated Cell Death (Eur. J. Org. Chem. 31/2010)

Chepuri V. Ramana, Pitambar Patel, Kumar Vanka, Benchun Miao, Alexei Degterev

Журнал:

European Journal of Organic Chemistry

Рік:

2010

Мова:

english

Файл:

PDF, 572 KB

english, 2010

The influence of the counterion B(C6F5)3CH3– and solvent effects on the propagation and termination steps of ethylene polymerization catalyzed by Cp2ZrR+ (R = Me,Pr). A density functional study

Tom Ziegler, Kumar Vanka, Zhitao Xu

Журнал:

Comptes Rendus Chimie

Рік:

2005

Файл:

PDF, 755 KB

2005

Radical mediated deoxygenation of inositol benzylidene acetals: conformational analysis, DFT calculations, and mechanism

Bharat P. Gurale, Kumar Vanka, Mysore S. Shashidhar

Журнал:

Carbohydrate Research

Рік:

2012

Мова:

english

Файл:

PDF, 1.66 MB

english, 2012

Thermal epimerization of inositol 1,3-benzylidene acetals in the molten state

Bharat P. Gurale, Shobhana Krishnaswamy, Kumar Vanka, Mysore S. Shashidhar

Журнал:

Tetrahedron

Рік:

2011

Мова:

english

Файл:

PDF, 1.20 MB

english, 2011

DFT Study of Lewis Base Interactions with the MgCl2 Surface in the Ziegler−Natta Catalytic System: Expanding the Role of the Donors

Vanka, Kumar, Singh, Gurmeet, Iyer, Divya, Gupta, Virendra K.

Журнал:

The Journal of Physical Chemistry C

Рік:

2010

Мова:

english

Файл:

PDF, 3.29 MB

english, 2010

A computational investigation of the role of the iridium dihydrogen pincer complex in the formation of the cyclic pentamer (NH2BH2)5

Kamalika Ghatak, Kumar Vanka

Журнал:

Computational and Theoretical Chemistry

Рік:

2012

Мова:

english

Файл:

PDF, 1.75 MB

english, 2012

Mechanistic Studies on the Roles of the Oxidant and Hydrogen Bonding in Determining the Selectivity in Alkene Oxidation in the Presence of Molybdenum Catalysts

Chandra, Prakash, Pandhare, Swati L., Umbarkar, Shubhangi B., Dongare, Mohan K., Vanka, Kumar

Журнал:

Chemistry - A European Journal

Рік:

2013

Мова:

english

Файл:

PDF, 1.40 MB

english, 2013

Solving the problem of negative populations in approximate accelerated stochastic simulations using the representative reaction approach

Kadam, Shantanu, Vanka, Kumar

Журнал:

Journal of Computational Chemistry

Рік:

2013

Мова:

english

Файл:

PDF, 1.24 MB

english, 2013

A Density Functional Study of Ethylene Insertion into the M-methyl (M = Ti, Zr) Bond for Different Catalysts, with a QM/MM Model for the Counterion, B(C6F5)3CH3−

Kumar Vanka, Zhitao Xu, Tom Ziegler

Журнал:

Israel Journal of Chemistry

Рік:

2002

Мова:

english

Файл:

PDF, 2.27 MB

english, 2002

Can Molecular Cages Be Effective at Small Molecule Activation? A Computational Investigation

Kuriakose, Nishamol, Vanka, Kumar

Журнал:

Philkhana, Satish Chandra, Seetharamsingh, B., Dangat, Yuvraj B., Vanka, Kumar, Reddy, D. Srinivasa

Рік:

2013

Мова:

english

Файл:

PDF, 1.79 MB

english, 2013

Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans–cis isomerisation of the enamide macrocycle

Журнал:

Ghatak, Kamalika, Mane, Manoj, Vanka, Kumar

Рік:

2013

Мова:

english

Файл:

PDF, 1.46 MB

english, 2013

Structural Diversity in Partially Fluorinated Metal Organic Frameworks (F-MOFs) Composed of Divalent Transition Metals, 1,10-Phenanthroline, and Fluorinated Carboxylic Acid

Pachfule, Pradip, Dey, Chandan, Panda, Tamas, Vanka, Kumar, Banerjee, Rahul

Журнал:

Crystal Growth & Design

Рік:

2010

Мова:

english

Файл:

PDF, 7.98 MB

english, 2010

Metal or Nonmetal Cooperation with a Phenyl Group: Route to Catalysis? A Computational Investigation

Журнал:

ACS Catalysis

Рік:

2013

Мова:

english

Файл:

PDF, 1.44 MB

english, 2013

Enantioselective N-Heterocyclic Carbene-Catalyzed Annulations of 2-Bromoenals with 1,3-Dicarbonyl Compounds and Enamines via Chiral α,β-Unsaturated Acylazoliums

Yetra, Santhivardhana Reddy, Bhunia, Anup, Patra, Atanu, Mane, Manoj V., Vanka, Kumar, Biju, Akkattu T.

Журнал:

Advanced Synthesis & Catalysis

Рік:

2013

Мова:

english

Файл:

PDF, 540 KB

english, 2013

A DFT investigation of the potential of porous cages for the catalysis of ammonia borane dehydrogenation

Pal, Amrita, Vanka, Kumar

Журнал:

Kumar, Togapur Pavan, Sattar, Mohammad Abdul, Sarma, Vanka Uma Maheshwara

Рік:

2011

Мова:

english

Файл:

PDF, 2.00 MB

english, 2011

Direct asymmetric Michael addition of ketones to chalcones catalyzed by a hydroxyphthalimide derived triazole–pyrrolidine

Журнал:

Tetrahedron: Asymmetry

Рік:

2013

Мова:

english

Файл:

PDF, 1.60 MB

english, 2013

A Theoretical Study of Metal–Metal Cooperativity in the Homogeneous Water Gas Shift Reaction

Kuriakose, Nishamol, Kadam, Shantanu, Vanka, Kumar

Журнал:

Sathyanarayana, Paladugu, Kumar, Tatipamula Arun, Sastry, Vanka Srinivasa Suryanarayana, Mathews, Manoj, Li, Quan, Takezoe, Hideo, Dhara, Surajit

Рік:

2012

Мова:

english

Файл:

PDF, 3.04 MB

english, 2012

Rotational Viscosity of a Bent-Core Nematic Liquid Crystal

Журнал:

Applied Physics Express

Рік:

2010

Мова:

english

Файл:

PDF, 799 KB

english, 2010

A Density Functional Study of the Competing Processes Occurring in Solution during Ethylene Polymerization by the Catalyst (1,2-Me 2 Cp) 2 ZrMe +

Vanka, Kumar, Ziegler, Tom

Журнал:

Toriyama, Masaharu, Maher, Tiffany R., Holovics, Thomas C., Vanka, Kumar, Day, Victor W., Berrie, Cindy L., Thompson, Ward H., Barybin, Mikhail V.

Рік:

2001

Мова:

english

Файл:

PDF, 142 KB

english, 2001

Multipoint Anchoring of the [2.2.2.2]Metacyclophane Motif to a Gold Surface via Self-Assembly: Coordination Chemistry of a Cyclic Tetraisocyanide Revisited

Журнал:

Рік:

2008

Мова:

english

Файл:

PDF, 1.95 MB

english, 2008

Combined Density Functional Theory and Molecular Mechanics (QM/MM) Study of Single-Site Ethylene Polymerization and Chain Termination for the Catalysts [(C 6 R 5 NCH)C 4 H 3 N] 2 PrTi + (R = F, H) and [bis(η 5 -1-indenyl)dimethylsilane]PrZr + in the Presence of the Counterion CH 3 B(C 6 F 5 )

Vanka, Kumar, Xu, Zhitao, Ziegler, Tom

Журнал:

Wondimagegn, Tebikie, Vanka, Kumar, Xu, Zhitao, Ziegler, Tom

Рік:

2005

Мова:

english

Файл:

PDF, 271 KB

english, 2005

First-Principles Quantum Chemical Study of Thermal Decomposition Routes for the Cationic Catalyst L 2 TiMe +

Журнал:

Рік:

2004

Мова:

english

Файл:

PDF, 229 KB

english, 2004

A Combined Density Functional Theory and Molecular Mechanics (QM/MM) Study of Single-Site Ethylene Polymerization Catalyzed by [(C 6 H 5 NCH)C 4 H 3 N] 2 -RM + {M = Ti, Zr} in the Presence of the Counterion CH 3 B(C 6 F 5 ) 3-

Vanka, Kumar, Xu, Zhitao, Ziegler, Tom

Журнал:

Рік:

2004

Мова:

english

Файл:

PDF, 182 KB

english, 2004

A Density Functional Study of Ion-Pair Formation and Dissociation in the Reaction between Boron- and Aluminum-Based Lewis Acids with (1,2-Me 2 Cp) 2 ZrMe 2

Vanka, Kumar, Chan, Mary S. W., Pye, Cory C., Ziegler, Tom

Журнал:

Рік:

2000

Мова:

english

Файл:

PDF, 195 KB

english, 2000

Theoretical Study of the Interactions between Cations and Anions in Group IV Transition-Metal Catalysts for Single-Site Homogeneous Olefin Polymerization

Xu, Zhitao, Vanka, Kumar, Firman, Timothy, Michalak, Artur, Zurek, Eva, Zhu, Chuanbao, Ziegler, Tom

Журнал:

Wondimagegn, Tebikie, Xu, Zhitao, Vanka, Kumar, Ziegler, Tom

Рік:

2002

Мова:

english

Файл:

PDF, 144 KB

english, 2002

Possible Thermal Decomposition Routes in [MeB(C 6 F 5 ) 3 ] - [L 2 TiMe + ] as Deactivation Pathways in Olefin Polymerization Catalysis: A Combined Density Functional Theory and Molecular Mechanics Investigation

Журнал:

Wondimagegn, Tebikie, Vanka, Kumar, Xu, Zhitao, Ziegler, Tom

Рік:

2005

Мова:

english

Файл:

PDF, 217 KB

english, 2005

Hydrogen Transfer from [MeB(C 6 F 5 ) 3 ] - to the Methyl Group of L 2 MMe + (M = Ti, Zr) as a Deactivation Pathway in Olefin Polymerization Catalysis: A Combined Quantum Mechanics and Molecular Mechanics Investigation

Журнал:

Mane, Manoj V., Venkatnathan, Arun, Ghatak, Kamalika, Vanka, Kumar

Рік:

2004

Мова:

english

Файл:

PDF, 164 KB

english, 2004

Exploring the Potential of Doped Zero-Dimensional Cages for Proton Transfer in Fuel Cells: A Computational Study

Журнал:

Journal of Physical Chemistry B

Рік:

2012

Мова:

english

Файл:

PDF, 2.80 MB

english, 2012

Asymmetric transfer hydrogenation of imines in water/methanol co-solvent system and mechanistic investigation by DFT study

Shende, Vaishali S., Shingote, Savita K., Deshpande, Sudhindra H., Kuriakose, Nishamol, Vanka, Kumar, Kelkar, Ashutosh A.

Журнал:

RSC Advances

Рік:

2014

Мова:

english

Файл:

PDF, 753 KB

english, 2014

Synthesis of α,β-Unsaturated δ-Lactones by Vinyl Acetate Mediated Asymmetric Cross-Aldol Reaction of Acetaldehyde: Mechanistic Insights

Kumar, Manjeet, Kumar, Arvind, Rizvi, Masood, Mane, Manoj, Vanka, Kumar, Taneja, Subhash C., Shah, Bhahwal Ali

Журнал:

European Journal of Organic Chemistry

Рік:

2014

Мова:

english

Файл:

PDF, 824 KB

english, 2014

Density Functional Study on Activation and Ion-Pair Formation in Group IV Metallocene and Related Olefin Polymerization Catalysts

Chan, Mary S. W., Vanka, Kumar, Pye, Cory C., Ziegler, Tom

Журнал:

International Journal of Multiphase Flow

Рік:

1999

Мова:

english

Файл:

PDF, 295 KB

english, 1999

Three-dimensional deformation of a spherical droplet in a square duct flow at moderate reynolds numbers

Horwitz, J.A.K., Kumar, P., Vanka, S.P.

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 1.89 MB

english, 2014

Influence of the Counterion MeB(C 6 F 5 ) 3- and Solvent Effects on Ethylene Polymerization Catalyzed by [(CpSiMe 2 NR)TiMe] + : A Combined Density Functional Theory and Molecular Mechanism Study

Xu, Zhitao, Vanka, Kumar, Ziegler, Tom

Журнал: