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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

Solvolysis of para-Substituted Cumyl Chlorides. Brown and Okamoto's Electrophilic Substituent Constants Revisited Using Continuum Solvent Models

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

Journal:

Journal of Organic Chemistry

Year:

2004

Language:

english

File:

PDF, 105 KB

english, 2004

5

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

6

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

7

Importance of the Inclusion of Dispersion in the Modeling of Asphaltene Dimers

Mackie, Iain D., DiLabio, Gino A.

Journal:

Year:

2010

Language:

english

File:

PDF, 911 KB

english, 2010

8

A Self-Directed Growth Process for Creating Covalently Bonded Molecular Assemblies on the H−Si(100)-3×1 Surface

Tong, Xiao, DiLabio, Gino A., Wolkow, Robert A.

Journal:

Year:

2004

Language:

english

File:

PDF, 165 KB

english, 2004

9

Dispersion Interactions Enable the Self-Directed Growth of Linear Alkane Nanostructures Covalently Bound to Silicon

DiLabio, Gino A., Piva, Paul G., Kruse, Peter, Wolkow, Robert A.

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 212 KB

english, 2004

10

Linear Nanostructure Formation of Aldehydes by Self-Directed Growth on Hydrogen-Terminated Silicon(100)

Pitters, Jason L., Dogel, Iana, DiLabio, Gino A., Wolkow, Robert A.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 244 KB

english, 2006

11

Dispersion-correcting potentials can significantly improve the bond dissociation enthalpies and noncovalent binding energies predicted by density-functional theory

DiLabio, Gino A., Koleini, Mohammad

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 608 KB

english, 2014

12

Reactions of the Phthalimide N -Oxyl Radical (PINO) with Activated Phenols: The Contribution of π-Stacking Interactions to Hydrogen Atom Transfer Rates

D’Alfonso, Claudio, Bietti, Massimo, DiLabio, Gino A., Lanzalunga, Osvaldo, Salamone, Michela

Journal:

Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 2.25 MB

english, 2013

13

Axial and Equatorial Cyclohexylacyl and Tetrahydropyranyl-2-acyl Radicals. An Experimental and Theoretical Study

DiLabio, Gino A., Ingold, Keith U., Roydhouse, Mark D., Walton, John C.

Journal:

Organic Letters

Year:

2004

Language:

english

File:

PDF, 74 KB

english, 2004

14

Kinetic and Theoretical Study of 4- e xo Ring Closures of Carbamoyl Radicals onto CC and CN Bonds

DiLabio, Gino A., Scanlan, Eoin M., Walton, John C.

Journal:

Organic Letters

Year:

2005

Language:

english

File:

PDF, 77 KB

english, 2005

15

Hydrogen Atom Transfer (HAT) Processes Promoted by the Quinolinimide-N-Oxyl Radical. A Kinetic and Theoretical Study

DiLabio, Gino A., Franchi, Paola, Lanzalunga, Osvaldo, Lapi, Andrea, Lucarini, Fiorella, Lucarini, Marco, Mazzonna, Marco, Prasad, Viki Kumar, Ticconi, Barbara

Journal:

Journal of Organic Chemistry

Year:

2017

Language:

english

File:

PDF, 664 KB

english, 2017

16

Antioxidant activity of highly hydroxylated fullerene C60 and its interactions with the analogue of Î±-tocopherol

Grebowski, Jacek, Konopko, Adrian, Krokosz, Anita, DiLabio, Gino A., Litwinienko, Grzegorz

Journal:

Free Radical Biology and Medicine

Year:

2020

File:

PDF, 3.94 MB

2020

17

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

18

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

19

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

20

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

21

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

22

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

23

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

24

Synthesis and Molecular and Extended Structures for a Diaminonaphthalene-Derived Bis(amido)stannylene

Bazinet, Patrick, Yap, Glenn P. A., DiLabio, Gino A., Richeson, Darrin S.

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 118 KB

english, 2005

25

Efficient basis sets for non-covalent interactions in XDM-corrected density-functional theory

Johnson, Erin R., Otero-de-la-Roza, Alberto, Dale, Stephen G., DiLabio, Gino A.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 9.69 MB

english, 2013

26

Indications of field-directing and self-templating effects on the formation of organic lines on silicon

Zikovsky, Janik, Dogel, Stanislav A., Salomons, Mark H., Pitters, Jason L., DiLabio, Gino A., Wolkow, Robert A.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 377 KB

english, 2011

27

Atom-Centered Potentials with Dispersion-Corrected Minimal Basis Set Hartree-Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems

Prasad, Viki Kumar, Otero-de-la-Roza, Alberto, DiLabio, Gino A.

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 1.26 MB

english, 2017

28

Extension of the B3LYP–dispersion-correcting potential approach to the accurate treatment of both inter- and intra-molecular interactions

DiLabio, Gino A., Koleini, Mohammad, Torres, Edmanuel

Journal:

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

Year:

2013

Language:

english

File:

PDF, 344 KB

english, 2013

29

A Density Functional Theory Study of the Reconstruction of Gold (111) Surfaces

Torres, Edmanuel, DiLabio, Gino A.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.54 MB

english, 2014

30

Absolute Rate Constants for Hydrogen Atom Transfer from Tertiary Amides to the Cumyloxyl Radical: Evaluating the Role of Stereoelectronic Effects

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

Journal:

Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 823 KB

english, 2014

31

Rearrangement of the 1,1-Diphenylethoxyl Radical Is Not Concerted but Occurs through a Bridged Intermediate

Smeu, Manuel, DiLabio, Gino A.

Journal:

Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 63 KB

english, 2007

32

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

33

Reactions of the Cumyloxyl and Benzyloxyl Radicals with Tertiary Amides. Hydrogen Abstraction Selectivity and the Role of Specific Substrate-Radical Hydrogen Bonding

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

Journal:

Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 1.51 MB

english, 2013

34

A Meta Effect in Nonphotochemical Processes: The Homolytic Chemistry of m -Methoxyphenol

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

Journal:

Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 72 KB

english, 2008

35

Extent of Conjugation in Diazonium-Derived Layers in Molecular Junction Devices Determined by Experiment and Modelling

Van Dyck, Colin, Bergren, Adam Johan, Mukundan, Vineetha, Fereiro, Jerry, DiLabio, Gino A.

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 1.62 MB

2019

36

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

37

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

38

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

39

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

40

Diamidonaphthalene-Stabilized N-Heterocyclic Pnictogenium Cations and Their Cation−Cation Solid-State Interactions

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

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 428 KB

english, 2007

41

Ring-opening radical clock reactions: many density functionals have difficulty keeping time

Mackie, Iain D., DiLabio, Gino A.

Journal:

Organic & Biomolecular Chemistry

Year:

2011

Language:

english

File:

PDF, 1.20 MB

english, 2011

42

Halogen Bonding from Dispersion-Corrected Density-Functional Theory: The Role of Delocalization Error

Otero-de-la-Roza, A., Johnson, Erin R., DiLabio, Gino A.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 2.06 MB

english, 2014

43

Separability of spin–orbit and correlation energies for the sixth-row main group hydride ground states

DiLabio, Gino A., Christiansen, Phillip A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 334 KB

english, 1998

44

Characterization of Equatorial and Axial Six-Membered-Ring Peroxyl Radicals

DiLabio, Gino A., Ingold, Keith U., Walton, John C.

Journal:

Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 122 KB

english, 2007

45

Atom-scale surface reactivity mediated by long-ranged equilibrium charge transfer

Piva, Paul G., DiLabio, Gino A., Livadaru, Lucian, Wolkow, Robert A.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 3.75 MB

english, 2014

46

Dangling-bond charge qubit on a silicon surface

Livadaru, Lucian, Xue, Peng, Shaterzadeh-Yazdi, Zahra, DiLabio, Gino A, Mutus, Josh, Pitters, Jason L, Sanders, Barry C, Wolkow, Robert A

Journal:

New Journal of Physics

Year:

2010

Language:

english

File:

PDF, 735 KB

english, 2010

47

Non-Covalent Interactions in Quantum Chemistry and Physics || Atom-Centered Potentials for Noncovalent Interactions and Other Applications

DiLabio, Gino A.

Year:

2017

File:

PDF, 1.22 MB

2017

48

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

49

Pentacene Binds Strongly to Hydrogen-Terminated Silicon Surfaces Via Dispersion Interactions

DiLabio, Gino A., Johnson, Erin R., Pitters, Jason

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 1.03 MB

english, 2009

50

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

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