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1

Construction of a Stable N-Heterocyclic Phosphenium Cation with an Electron-Rich Framework and Its Complexation to Rhodium

Spinney, Heather A., Yap, Glenn P. A., Korobkov, Ilia, DiLabio, Gino, Richeson, Darrin S.

Journal:

Organometallics

Year:

2006

Language:

english

File:

PDF, 156 KB

english, 2006

2

Detailed Characterization of Glycosylated Sensory-Active Volatile Phenols in Smoke-Exposed Grapes and Wine

Noestheden, Matthew, Dennis, Eric G, Romero-Montalvo, Eduardo, Dilabio, Gino A, Zandberg, Wesley F

Journal:

Year:

2018

Language:

english

File:

PDF, 404 KB

english, 2018

3

6-Amino-3-Pyridinols: Towards Diffusion-Controlled Chain-Breaking Antioxidants

Maikel Wijtmans, Derek A. Pratt, Luca Valgimigli, Gino A. DiLabio, Gian Franco Pedulli, Ned A. Porter

Journal:

Angewandte Chemie

Year:

2003

Language:

english

File:

PDF, 120 KB

english, 2003

4

6-Amino-3-Pyridinols: Towards Diffusion-Controlled Chain-Breaking Antioxidants

Maikel Wijtmans, Derek A. Pratt, Luca Valgimigli, Gino A. DiLabio, Gian Franco Pedulli, Ned A. Porter

Journal:

Angewandte Chemie

Year:

2003

File:

PDF, 28 KB

2003

5

Isomerization of Triphenylmethoxyl: The Wieland Free-Radical Rearrangement Revisited a Century Later

Gino A. DiLabio, K. U. Ingold, Shuqiong Lin, Grzegorz Litwinienko, Olga Mozenson, Peter Mulder, Thomas T. Tidwell

Journal:

Angewandte Chemie

Year:

2010

Language:

english

File:

PDF, 376 KB

english, 2010

6

Titelbild: Isomerization of Triphenylmethoxyl: The Wieland Free-Radical Rearrangement Revisited a Century Later (Angew. Chem. 34/2010)

Gino A. DiLabio, K. U. Ingold, Shuqiong Lin, Grzegorz Litwinienko, Olga Mozenson, Peter Mulder, Thomas T. Tidwell

Journal:

Angewandte Chemie

Year:

2010

Language:

german

File:

PDF, 778 KB

german, 2010

7

6-Amino-3-Pyridinols: Towards Diffusion-Controlled Chain-Breaking Antioxidants

Maikel Wijtmans, Derek A. Pratt, Luca Valgimigli, Gino A. DiLabio, Gian Franco Pedulli, Ned A. Porter

Journal:

Angewandte Chemie International Edition

Year:

2003

Language:

english

File:

PDF, 119 KB

english, 2003

8

6-Amino-3-Pyridinols: Towards Diffusion-Controlled Chain-Breaking Antioxidants

Maikel Wijtmans, Derek A. Pratt, Luca Valgimigli, Gino A. DiLabio, Gian Franco Pedulli, Ned A. Porter

Journal:

Angewandte Chemie International Edition

Year:

2003

File:

PDF, 29 KB

2003

9

Cover Picture: Isomerization of Triphenylmethoxyl: The Wieland Free-Radical Rearrangement Revisited a Century Later (Angew. Chem. Int. Ed. 34/2010)

Gino A. DiLabio, K. U. Ingold, Shuqiong Lin, Grzegorz Litwinienko, Olga Mozenson, Peter Mulder, Thomas T. Tidwell

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 865 KB

english, 2010

10

The Effect of Ring Nitrogen Atoms on the Homolytic Reactivity of Phenolic Compounds: Understanding the Radical-Scavenging Ability of 5-Pyrimidinols

Luca Valgimigli, Giovanni Brigati, Gian Franco Pedulli, Gino A. DiLabio, Marina Mastragostino, Catia Arbizzani, Derek A. Pratt

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 283 KB

english, 2003

11

Density Functional Theory Based Model Calculations for Accurate Bond Dissociation Enthalpies. Part 3. A Single Approach for X—H, X—X, and X—Y, (X, Y: C, N, O, S, Halogen) Bonds.

Erin R. Johnson, Owen J. Clarkin, Gino A. DiLabio

Journal:

Year:

2004

File:

PDF, 54 KB

2004

12

Bond Strengths of Toluenes, Anilines, and Phenols: To Hammett or Not

Derek A. Pratt, Gino A. Dilabio, Peter Mulder, K. U. Ingold

Journal:

Year:

2004

File:

PDF, 80 KB

2004

13

Application of 25 density functionals to dispersion-bound homomolecular dimers

Erin R. Johnson, Robert A. Wolkow, Gino A. DiLabio

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 279 KB

english, 2004

14

Reply to comment on ‘Application of 25 density functionals to dispersion-bound homomolecular dimers’ [Chem. Phys. Lett. 394 (2004) 334–338]

Erin R. Johnson, Robert A. Wolkow, Gino A. DiLabio

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 61 KB

english, 2005

15

Comment on “The enthalpy of the O–H homolytic dissociation: Basis-set extrapolated density functional theory and coupled cluster calculations” by B.J. Costa Cabral and S. Canuto [Chem. Phys. Lett. 406 (2005) 300–305]

Gino A. DiLabio, Peter Mulder

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 101 KB

english, 2006

16

Structure and binding energies in van der Waals dimers: Comparison between density functional theory and correlated ab initio methods

Erin R. Johnson, Gino A. DiLabio

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 154 KB

english, 2006

17

Theoretical study of the thermochemistry and kinetics of the addition of silyl radical to ethylene

Owen J. Clarkin, Gino A. DiLabio

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 125 KB

english, 2006

18

Hydrogen-bond strengths in large complexes: Efficient calculations using locally dense basis sets

Erin R. Johnson, Daniel J.J. McKay, Gino A. DiLabio

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 247 KB

english, 2007

19

Accurate treatment of van der Waals interactions using standard density functional theory methods with effective core-type potentials: Application to carbon-containing dimers

Gino A. DiLabio

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 214 KB

english, 2008

20

Scanning tunneling microscopy and computational study of the self-directed growth of 1,3-butadiene and 2,3-dimethyl-1,3-butadiene on hydrogen-terminated silicon(1 0 0)-2 × 1

Janik Zikovsky, Stanislav A. Dogel, Shoma Sinha, Gino A. DiLabio, Robert A. Wolkow

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 708 KB

english, 2008

21

A simple and accurate approach for calculating the vibration spectra of molecules on surfaces: Comparisons to high resolution electron energy loss data for ethylene on silicon

Gino A. DiLabio, Stanislav A. Dogel, Robert A. Wolkow

Journal:

Surface Science

Year:

2006

Language:

english

File:

PDF, 304 KB

english, 2006

22

Protonation as a means of manufacturing light trications: a case study of B2H33+

Gino A DiLabio, Daniel R Matusek

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 80 KB

english, 2000

23

Dispersion interactions in density-functional theory

Erin R. Johnson, Iain D. Mackie, Gino A. DiLabio

Journal:

Journal of Physical Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 495 KB

english, 2009

24

Computational modeling of extended systems

Gino A. DiLabio

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 132 KB

english, 2012

25

Radicals as hydrogen bond donors and acceptors

Erin R. Johnson, Gino A. Dilabio

Journal:

Interdisciplinary Sciences: Computational Life Sciences

Year:

2009

Language:

english

File:

PDF, 148 KB

english, 2009

26

Convergence of calculated nuclear magnetic resonance chemical shifts in a protein with respect to quantum mechanical model size

Erin R. Johnson, Gino A. DiLabio

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 250 KB

english, 2009

27

Field regulation of single-molecule conductivity by a charged surface atom

Piva, Paul G., DiLabio, Gino A., Pitters, Jason L., Zikovsky, Janik, Rezeq, Moh'd, Dogel, Stanislav, Hofer, Werner A., Wolkow, Robert A.

Journal:

Year:

2005

Language:

english

File:

PDF, 337 KB

english, 2005

28

Bond Strengths of Toluenes, Anilines, and Phenols: To Hammett or Not

Pratt, Derek A., DiLabio, Gino A., Mulder, Peter, Ingold, K. U.

Journal:

Accounts of Chemical Research

Year:

2004

Language:

english

File:

PDF, 144 KB

english, 2004

29

Hydrogen Atom Abstraction Selectivity in the Reactions of Alkylamines with the Benzyloxyl and Cumyloxyl Radicals. The Importance of Structure and of Substrate Radical Hydrogen Bonding

Salamone, Michela, DiLabio, Gino A., Bietti, Massimo

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 1.49 MB

english, 2011

30

Theoretical Calculation of Ionization Potentials for Disubstituted Benzenes: Additivity vs Non-Additivity of Substituent Effects

DiLabio, Gino A., Pratt, Derek A., Wright, James S.

Journal:

Journal of Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 93 KB

english, 2000

31

Kinetic Solvent Effects on Hydrogen Abstraction from Phenol by the Cumyloxyl Radical. Toward an Understanding of the Role of Protic Solvents

Bietti, Massimo, Salamone, Michela, DiLabio, Gino A., Jockusch, Steffen, Turro, Nicholas J.

Journal:

Journal of Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 308 KB

english, 2012

32

Predicting the Activity of Phenolic Antioxidants: Theoretical Method, Analysis of Substituent Effects, and Application to Major Families of Antioxidants

Wright, James S., Johnson, Erin R., DiLabio, Gino A.

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 127 KB

english, 2001

33

Accurate O−H Bond Dissociation Energy Differences of Hydroxylamines Determined by EPR Spectroscopy: Computational Insight into Stereoelectronic Effects on BDEs and EPR Spectral Parameters

Billone, Paul S., Johnson, Paul A., Lin, Shuqiong, Scaiano, J. C., DiLabio, Gino A., Ingold, K. U.

Journal:

Journal of Organic Chemistry

Year:

2011

Language:

english

File:

PDF, 1.56 MB

english, 2011

34

The Unusual Reaction of Semiquinone Radicals with Molecular Oxygen

Valgimigli, Luca, Amorati, Riccardo, Fumo, Maria Grazia, DiLabio, Gino A., Pedulli, Gian Franco, Ingold, Keith U., Pratt, Derek A.

Journal:

Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 330 KB

english, 2008

35

Reaction of Phenols with the 2,2-Diphenyl-1-picrylhydrazyl Radical. Kinetics and DFT Calculations Applied To Determine ArO-H Bond Dissociation Enthalpies and Reaction Mechanism

Foti, Mario C., Daquino, Carmelo, Mackie, Iain D., DiLabio, Gino A., Ingold, K. U.

Journal:

Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 1.30 MB

english, 2008

36

Kinetics of the Oxidation of Quercetin by 2,2-Diphenyl-1-picrylhydrazyl (dpph•)

Foti, Mario C., Daquino, Carmelo, DiLabio, Gino A., Ingold, K. U.

Journal:

Organic Letters

Year:

2011

Language:

english

File:

PDF, 952 KB

english, 2011

37

A (Nearly) Universally Applicable Method for Modeling Noncovalent Interactions Using B3LYP

Torres, Edmanuel, DiLabio, Gino A.

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 968 KB

english, 2012

38

Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies

Mackie, Iain D., DiLabio, Gino A.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 718 KB

english, 2011

39

Critical Re-evaluation of the O−H Bond Dissociation Enthalpy in Phenol

Mulder, Peter, Korth, Hans-Gert, Pratt, Derek A., DiLabio, Gino A., Valgimigli, Luca, Pedulli, G. F., Ingold, K. U.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 98 KB

english, 2005

40

Dodecahedral molecular nitrogen (N20) and related structures

James S. Wright, Daniel J. McKay, Gino A. DiLabio

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 867 KB

english, 1998

41

Hemiketal formation of dehydroascorbic acid drives ascorbyl radical anion disproportionation

Gino A. DiLabio, James S. Wright

Journal:

Free Radical Biology and Medicine

Year:

2000

Language:

english

File:

PDF, 122 KB

english, 2000

42

Organic Nanostructures on Hydrogen-Terminated Silicon Report on Electric Field Modulation of Dangling Bond Charge State

Ryan, Peter M., Livadaru, Lucian, DiLabio, Gino A., Wolkow, Robert A.

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 4.28 MB

english, 2012

43

A theoretical and experimental investigation of some unusual intermolecular hydrogen-bond IR bands — Appearances can be deceptive

Litwinienko, Grzegorz, DiLabio, Gino A, Ingold, K U

Journal:

Canadian Journal of Chemistry

Year:

2006

File:

PDF, 875 KB

2006

44

Isomerization of Triphenylmethoxyl and 1,1-Diphenylethoxyl Radicals. Revised Assignment of the Electron-Spin Resonance Spectra of Purported Intermediates Formed during the Ceric Ammonium Nitrate Mediated Photooxidation of Aryl Carbinols

Ingold, K. U., Smeu, Manuel, DiLabio, Gino A.

Journal:

Journal of Organic Chemistry

Year:

2006

Language:

english

File:

PDF, 46 KB

english, 2006

45

Density Functional Theory Based Model Calculations for Accurate Bond Dissociation Enthalpies. 3. A Single Approach for X−H, X−X, and X−Y (X, Y = C, N, O, S, Halogen) Bonds

Johnson, Erin R., Clarkin, Owen J., DiLabio, Gino A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 103 KB

english, 2003

46

Effect of Metal Ions on the Reactions of the Cumyloxyl Radical with Hydrogen Atom Donors. Fine Control on Hydrogen Abstraction Reactivity Determined by Lewis Acid–Base Interactions

Salamone, Michela, Mangiacapra, Livia, DiLabio, Gino A., Bietti, Massimo

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 575 KB

english, 2013

47

Isomerization of Triphenylmethoxyl: The Wieland Free-Radical Rearrangement Revisited a Century Later

Gino A. DiLabio, K. U. Ingold, Shuqiong Lin, Grzegorz Litwinienko, Olga Mozenson, Peter Mulder, Thomas T. Tidwell

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 395 KB

english, 2010

48

A Theoretical Study of the Iminoxyl/Oxime Self-Exchange Reaction. A Five-Center, Cyclic Proton-Coupled Electron Transfer

DiLabio, Gino A., Ingold, K. U.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 518 KB

english, 2005

49

Reactions of the Cumyloxyl and Benzyloxyl Radicals with Strong Hydrogen Bond Acceptors. Large Enhancements in Hydrogen Abstraction Reactivity Determined by Substrate/Radical Hydrogen Bonding

Salamone, Michela, DiLabio, Gino A., Bietti, Massimo

Journal:

Journal of Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 755 KB

english, 2012

50

Time-Resolved Kinetic Study of the Electron-Transfer Reactions between Ring-Substituted Cumyloxyl Radicals and Alkylferrocenes. Evidence for an Inner-Sphere Mechanism

Bietti, Massimo, DiLabio, Gino A., Lanzalunga, Osvaldo, Salamone, Michela

Journal:

Journal of Organic Chemistry

Year:

2011

Language:

english

File:

PDF, 1.17 MB

english, 2011

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