Cundari, Thomas R.: search on Z-Library

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1

Catalytic CH Amination with Unactivated Amines through Copper(II) Amides

Stefan Wiese, Dr. Yosra M. Badiei, Raymond T. Gephart, Dr. Susanne Mossin, Dr. Matthew S. Varonka, Dr. Marie M. Melzer, Prof. Dr. Karsten Meyer, Prof. Thomas R. Cundari, Prof. Timothy H. Warren

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 27.21 MB

english, 2010

2

Reviews in Computational Chemistry Volume 20 || Valence Bond Theory, Its History, Fundamentals, and Applications: A Primer

Lipkowitz, Kenny B., Larter, Raima, Cundari, Thomas R.

Year:

2004

Language:

english

File:

PDF, 751 KB

english, 2004

3

Chemical bonding involving d-orbitals

Cundari, Thomas R.

Journal:

Chemical Communications

Year:

2013

Language:

english

File:

PDF, 328 KB

english, 2013

4

Design of a Propane Ammoxidation Catalyst Using Artificial Neural Networks and Genetic Algorithms

Cundari, Thomas R., Deng, Jun, Zhao, Yong

Journal:

Industrial & Engineering Chemistry Research

Year:

2001

Language:

english

File:

PDF, 72 KB

english, 2001

5

Can Semiempirical Quantum Mechanics Be Used To Predict the Spin State of Transition Metal Complexes? An Application of De Novo Prediction

Ball, David M., Buda, Corneliu, Gillespie, Aaron M., White, David P., Cundari, Thomas R.

Journal:

Inorganic Chemistry

Year:

2002

Language:

english

File:

PDF, 51 KB

english, 2002

6

Reviews in Computational Chemistry Volume 19 || The Poisson–Boltzmann Equation

Lipkowitz, Kenny B., Larter, Raima, Cundari, Thomas R.

Year:

2003

Language:

english

File:

PDF, 1.59 MB

english, 2003

7

Modified embedded atom method study of the mechanical properties of carbon nanotube reinforced nickel composites

Uddin, Jamal, Baskes, M. I., Srinivasan, S. G., Cundari, Thomas R., Wilson, Angela K.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 697 KB

english, 2010

8

[Reviews in Computational Chemistry] Reviews in Computational Chemistry (Lipkowitz/Reviews in Computational Chemistry, Volume 22) || Wavelets in Chemistry and Cheminformatics

Lipkowitz, Kenny B., Cundari, Thomas R., Gillet, Valerie J., Boyd, Donald B.

Year:

2006

Language:

english

File:

PDF, 924 KB

english, 2006

9

DFT Study of the Ethylene Hydroformylation Catalytic Cycle Employing a HRh(PH 3 ) 2 (CO) Model Catalyst

Decker, Stephen A., Cundari, Thomas R.

Journal:

Organometallics

Year:

2001

Language:

english

File:

PDF, 231 KB

english, 2001

10

Performance of Density Functional Theory for 3d Transition Metal-Containing Complexes: Utilization of the Correlation Consistent Basis Sets

Tekarli, Sammer M., Drummond, Michael L., Williams, T. Gavin, Cundari, Thomas R., Wilson, Angela K.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 216 KB

english, 2009

11

Computational study of methane activation by mercury(II) complexes

Cundari, Thomas R., Yoshikawa, Akihiko

Journal:

Journal of Computational Chemistry

Year:

1998

Language:

english

File:

PDF, 337 KB

english, 1998

12

Studies of Low-Coordinate Iron Dinitrogen Complexes

Smith, Jeremy M., Sadique, Azwana R., Cundari, Thomas R., Rodgers, Kenton R., Lukat-Rodgers, Gudrun, Lachicotte, Rene J., Flaschenriem, Christine J., Vela, Javier, Holland, Patrick L.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 385 KB

english, 2006

13

[Reviews in Computational Chemistry] Reviews in Computational Chemistry Volume 26 || Reliable Electronic Structure Computations for Weak Noncovalent Interactions in Clusters

Lipkowitz, Kenny B., Cundari, Thomas R.

Year:

2008

Language:

english

File:

PDF, 878 KB

english, 2008

14

First-Row Transition Metal and Lithium Pyridine-ene-amide Complexes Exhibiting N- and C-Isomers and Ligand-Based Activation of Benzylic C–H Bonds

Lindley, Brian M., Wolczanski, Peter T., Cundari, Thomas R., Lobkovsky, Emil B.

Journal:

Organometallics

Year:

2015

Language:

english

File:

PDF, 3.31 MB

english, 2015

15

Synthesis, Photophysical Properties, and Computational Analysis of Di- and Tetranuclear Alkyne Complexes of Copper(I) Supported by a Highly Fluorinated Pyrazolate

Parasar, Devaborniny, Almotawa, Ruaa M., Jayaratna, Naleen B., Ceylan, Yavuz S., Cundari, Thomas R., Omary, Mohammad A., Dias, H. V. Rasika

Journal:

Organometallics

Year:

2018

Language:

english

File:

PDF, 4.43 MB

english, 2018

16

Computational investigations of NHC-backbone configurations for applications in organocatalytic umpolung reactions

Melancon, Kortney M., Cundari, Thomas R.

Journal:

Organic & Biomolecular Chemistry

Year:

2020

File:

PDF, 2.10 MB

2020

17

[Reviews in Computational Chemistry] Reviews in Computational Chemistry Volume 26 || Excited States from Time-Dependent Density Functional Theory

Lipkowitz, Kenny B., Cundari, Thomas R.

Year:

2008

Language:

english

File:

PDF, 1.62 MB

english, 2008

18

ChemInform Abstract: A Rhodium Catalyst for Single-Step Styrene Production from Benzene and Ethylene.

Vaughan, Benjamin A., Webster-Gardiner, Michael S., Cundari, Thomas R., Gunnoe, T. Brent

Journal:

Year:

2015

File:

PDF, 16 KB

2015

19

[Reviews in Computational Chemistry] Reviews in Computational Chemistry Volume 23 || Variational Transition State Theory with Multidimensional Tunneling

Lipkowitz, Kenny B., Cundari, Thomas R.

Year:

2007

Language:

english

File:

PDF, 987 KB

english, 2007

20

[Reviews in Computational Chemistry] Reviews in Computational Chemistry (Lipkowitz/Reviews Computational V24) || Mean-Field Theory

Lipkowitz, Kenny B., Cundari, Thomas R.

Year:

2007

Language:

english

File:

PDF, 5.59 MB

english, 2007

21

[Reviews in Computational Chemistry] Reviews in Computational Chemistry Volume 23 || Linear-Scaling Methods in Quantum Chemistry

Lipkowitz, Kenny B., Cundari, Thomas R.

Year:

2007

Language:

english

File:

PDF, 1.72 MB

english, 2007

22

[Reviews in Computational Chemistry] Reviews in Computational Chemistry Volume 23 || Conical Intersections in Molecular Systems

Lipkowitz, Kenny B., Cundari, Thomas R.

Year:

2007

Language:

english

File:

PDF, 1.22 MB

english, 2007

23

[Reviews in Computational Chemistry] Reviews in Computational Chemistry (Lipkowitz/Computational Chemistry) || Biomolecular Applications of Poisson-Boltzmann Methods

Lipkowitz, Kenny B., Larter, Raima, Cundari, Thomas R.

Year:

2005

Language:

english

File:

PDF, 494 KB

english, 2005

24

Robust Fuzzy Principal Component Analysis (FPCA). A Comparative Study Concerning Interaction of Carbon—Hydrogen Bonds with Molybdenum—Oxo Bonds.

Thomas R. Cundari, Costel Sarbu, Horia F. Pop

Journal:

Year:

2003

File:

PDF, 55 KB

2003

25

Reviews in Computational Chemistry Volume 20 || Calculation of the Electronic Spectra of Large Molecules

Lipkowitz, Kenny B., Larter, Raima, Cundari, Thomas R.

Year:

2004

Language:

english

File:

PDF, 890 KB

english, 2004

26

A molecular orbital investigation of ru–oxo-catalyzed alcohol oxidations

Thomas R. Cundari, Russell S. Drago

Journal:

International Journal of Quantum Chemistry

Year:

1989

Language:

english

File:

PDF, 565 KB

english, 1989

27

Mechanistic Study of Oxy Insertion into Nickel–Carbon Bonds with Nitrous Oxide

Figg, Travis M., Cundari, Thomas R.

Journal:

Organometallics

Year:

2012

Language:

english

File:

PDF, 1.39 MB

english, 2012

28

Effective core potential methods for the lanthanides

Cundari, Thomas R., Stevens, Walter J.

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 972 KB

english, 1993

29

Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods. Groups 11 and 12 Transition Metals

Buda, Corneliu, Kazi, Abul B., Dinescu, Adriana, Cundari, Thomas R.

Journal:

Journal of Chemical Information and Modeling

Year:

2005

Language:

english

File:

PDF, 133 KB

english, 2005

30

Ru(II) Catalysts Supported by Hydridotris(pyrazolyl)borate for the Hydroarylation of Olefins: Reaction Scope, Mechanistic Studies, and Guides for the Development of Improved Catalysts

Foley, Nicholas A., Lee, John P., Ke, Zhuofeng, Gunnoe, T. Brent, Cundari, Thomas R.

Journal:

Accounts of Chemical Research

Year:

2009

Language:

english

File:

PDF, 648 KB

english, 2009

31

Selective Extraction of N 2 from Air by Diarylimine Iron Complexes

Bartholomew, Erika R., Volpe, Emily C., Wolczanski, Peter T., Lobkovsky, Emil B., Cundari, Thomas R.

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 3.13 MB

english, 2013

32

Computational Inorganic and Bioinorganic Chemistry Computational Inorganic and Bioinorganic Chemistry . Edited by Edward I. Solomon (Stanford University, Stanford, CA), Robert A. Scott (University of Georgia, Athens), and R. Bruce King (University of Georgia, Athens). John Wiley & Sons, Ltd: Chichester. 2009. xx + 594 pp. $220. ISBN 978-0-470-69997-3 .

Cundari, Thomas R.

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 51 KB

english, 2010

33

Deoxygenations of (silox) 3 WNO and R 3 PO by (silox) 3 M (M = V, Ta) and (silox) 3 NbL (silox = t Bu 3 SiO): Consequences of Electronic Effects

Veige, Adam S., Slaughter, Lee M., Wolczanski, Peter T., Matsunaga, Nikita, Decker, Stephen A., Cundari, Thomas R.

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 45 KB

english, 2001

34

Iridium, Rhodium, and Ruthenium Catalysts for the “Aldehyde–Water Shift” Reaction

Brewster, Timothy P., Ou, William C., Tran, Jeremy C., Goldberg, Karen I., Hanson, Susan K., Cundari, Thomas R., Heinekey, D. Michael

Journal:

Year:

2014

Language:

english

File:

PDF, 572 KB

english, 2014

35

Hydrogen−Deuterium Exchange between TpRu(PMe 3 )(L)X (L = PMe 3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and Deuterated Arene Solvents: Evidence for Metal-Mediated Processes

Feng, Yuee, Lail, Marty, Foley, Nicholas A., Gunnoe, T. Brent, Barakat, Khaldoon A., Cundari, Thomas R., Petersen, Jeffrey L.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 334 KB

english, 2006

36

Catalytic Synthesis of Arylisocyanates from Nitroaromatics. A Computational Study

Kazi, Abul B., Cundari, Thomas R., Baba, Eduard, DeYonker, Nathan J., Dinescu, Adriana, Spaine, Lloyd

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 125 KB

english, 2007

37

Hydrophenylation of ethylene using a cationic Ru( ii ) catalyst: comparison to a neutral Ru( ii ) catalyst

Burgess, Samantha A., Joslin, Evan E., Gunnoe, T. Brent, Cundari, Thomas R., Sabat, Michal, Myers, William H.

Journal:

Chemical Science

Year:

2014

Language:

english

File:

PDF, 667 KB

english, 2014

38

[Reviews in Computational Chemistry] Reviews in Computational Chemistry Volume 26 || Atomistic Simulation of Ionic Liquids

Lipkowitz, Kenny B., Cundari, Thomas R.

Year:

2008

Language:

english

File:

PDF, 8.58 MB

english, 2008

39

Oxyfunctionalization with Cp*Ir III (NHC)(Me)(Cl) with O 2 : Identification of a Rare Bimetallic Ir IV μ-Oxo Intermediate

Lehman, Matthew C., Pahls, Dale R., Meredith, Joseph M., Sommer, Roger D., Heinekey, D. Michael, Cundari, Thomas R., Ison, Elon A.

Journal:

Journal of the American Chemical Society

Year:

2015

Language:

english

File:

PDF, 2.31 MB

english, 2015

40

Transition Metal Mediated C-H Activation and Functionalization: The Role of Poly(pyrazolyl)borate and Poly(pyrazolyl)alkane Ligands

McKeown, Bradley A., Lee, John P., Mei, Jiajun, Cundari, Thomas R., Gunnoe, T. Brent

Journal:

European Journal of Inorganic Chemistry

Year:

2016

Language:

english

File:

PDF, 3.09 MB

english, 2016

41

Reviews in Computational Chemistry Volume 19 || Born–Oppenheimer Direct Dynamics Classical Trajectory Simulations

Lipkowitz, Kenny B., Larter, Raima, Cundari, Thomas R.

Year:

2003

Language:

english

File:

PDF, 657 KB

english, 2003

42

Elusive Terminal Copper Arylnitrene Intermediates

Bakhoda, Abolghasem Gus, Jiang, Quan, Bertke, Jeffery A., Cundari, Thomas R., Warren, Timothy H.

Journal:

Angewandte Chemie International Edition

Year:

2017

Language:

english

File:

PDF, 1.89 MB

english, 2017

43

Oxidative Hydrophenylation of Ethylene Using a Cationic Ru(II) Catalyst: Styrene Production with Ethylene as the Oxidant

Jia, Xiaofan, Gary, J. Brannon, Gu, Shaojin, Cundari, Thomas R., Gunnoe, T. Brent

Journal:

Israel Journal of Chemistry

Year:

2017

Language:

english

File:

PDF, 2.81 MB

english, 2017

44

[Reviews in Computational Chemistry] Reviews in Computational Chemistry (Lipkowitz/Reviews) || Subject Index

Lipkowitz, Kenny B., Cundari, Thomas R.

Year:

2007

Language:

english

File:

PDF, 119 KB

english, 2007

45

Synthesis and Characterization of the Gold(I) Tris(ethylene) Complex [Au(C2H4)3][SbF6]

H. V. Rasika Dias, Mauro Fianchini, Thomas R. Cundari, Charles F. Campana

Journal:

Angewandte Chemie

Year:

2008

Language:

english

File:

PDF, 317 KB

english, 2008

46

Methane activation by tris(imido) complexes: the effect of metal, ligand and d orbital occupation

Michael T. Benson, Thomas R. Cundari, Eddie W. Moody

Journal:

Journal of Organometallic Chemistry

Year:

1995

Language:

english

File:

PDF, 1.25 MB

english, 1995

47

The importance of secondary structure in determining CO2-protein binding patterns

Michael L. Drummond, Angela K. Wilson, Thomas R. Cundari

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 665 KB

english, 2012

48

Thermal conduction analysis of layered functionally graded materials

A. Olayinka Olatunji-Ojo, Sandra K.S. Boetcher, Thomas R. Cundari

Journal:

Computational Materials Science

Year:

2012

Language:

english

File:

PDF, 666 KB

english, 2012

49

DFT study of the reactivity of methane and dioxygen with d10-L2M complexes

Thomas R. Cundari, Bruce M. Prince

Journal:

Journal of Organometallic Chemistry

Year:

2011

Language:

english

File:

PDF, 540 KB

english, 2011

50

A Masked Two-Coordinate Cobalt(I) Complex That Activates C–F Bonds

Dugan, Thomas R., Sun, Xianru, Rybak-Akimova, Elena V., Olatunji-Ojo, Olayinka, Cundari, Thomas R., Holland, Patrick L.

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 1.49 MB

english, 2011

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