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1

Average local ionization energy: A review

Peter Politzer, Jane S. Murray, Felipe A. Bulat

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 524 KB

english, 2010

2

Tuning the electronic properties of graphene by hydrogenation in a plasma enhanced chemical vapor deposition reactor

James S. Burgess, Bernard R. Matis, Jeremy T. Robinson, Felipe A. Bulat, F. Keith Perkins, Brian H. Houston, Jeffrey W. Baldwin

Journal:

Year:

2011

Language:

english

File:

PDF, 464 KB

english, 2011

3

Surface Doping and Band Gap Tunability in Hydrogenated Graphene

Matis, Bernard R., Burgess, James S., Bulat, Felipe A., Friedman, Adam L., Houston, Brian H., Baldwin, Jeffrey W.

Journal:

Year:

2012

Language:

english

File:

PDF, 1.65 MB

english, 2012

4

ChemInform Abstract: Synthesis and Plant Growth Activity of Three New Brassinosteroid Analogues.

Luis Espinoza, Felipe Bulat, Danahe Coll, Francisco Coll, Marcelo D. Preite, Manuel Cortes

Journal:

Year:

2000

File:

PDF, 33 KB

2000

5

Analog environments for a Europa lander mission

Ralph D. Lorenz, Damhnait Gleeson, Olga Prieto-Ballesteros, Felipe Gomez, Kevin Hand, Sergey Bulat

Journal:

Advances in Space Research

Year:

2011

Language:

english

File:

PDF, 441 KB

english, 2011

6

A theoretical study of the rotational isomerization of glyoxal and halogen derivatives

Felipe Bulat, Alejandro Toro-Labbé

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 167 KB

english, 2002

7

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

Felipe A. Bulat, Alejandro Toro-Labbé, Tore Brinck, Jane S. Murray, Peter Politzer

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 969 KB

english, 2010

8

Hydrogenation and Fluorination of Graphene Models: Analysis via the Average Local Ionization Energy

Bulat, Felipe A., Burgess, James S., Matis, Bernard R., Baldwin, Jeffrey W., Macaveiu, Laura, Murray, Jane S., Politzer, Peter

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 458 KB

english, 2012

9

Condensation of Frontier Molecular Orbital Fukui Functions

Bulat, Felipe A., Chamorro, Eduardo, Fuentealba, Patricio, Toro-Labbé, Alejandro

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 219 KB

english, 2004

10

An Extension of the Hammond Postulate. Structural Effects on the Classification of Chemical Reactions

Bulat, Felipe A., Toro-Labbé, Alejandro

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 134 KB

english, 2003

11

Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam’s Razor)

Peter Politzer, Kevin E. Riley, Felipe A. Bulat, Jane S. Murray

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 536 KB

english, 2012

12

Average Local Ionization Energies in the Hartree−Fock and Kohn−Sham Theories

Bulat, Felipe A., Levy, Mel, Politzer, Peter

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 624 KB

english, 2009

13

Average Local Ionization Energies as a Route to Intrinsic Atomic Electronegativities

Politzer, Peter, Peralta-Inga Shields, Zenaida, Bulat, Felipe A., Murray, Jane S.

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 1.00 MB

english, 2011

14

Density functional theory investigation of the polarizability and second hyperpolarizability of polydiacetylene and polybutatriene chains: Treatment of exact exchange and role of correlation

Champagne, Benoı̂t, Bulat, Felipe A., Yang, Weitao, Bonness, Sean, Kirtman, Bernard

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 463 KB

english, 2006

15

Contact Geometry and Conductance of Crossed Nanotube Junctions under Pressure

Bulat, Felipe A., Couchman, Luise, Yang, Weitao

Journal:

Year:

2009

Language:

english

File:

PDF, 1.27 MB

english, 2009

16

Formal expressions and corresponding expansions for the exact Kohn-Sham exchange potential

Bulat, Felipe A., Levy, Mel

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 161 KB

english, 2009

17

Synthesis and Plant Growth-Activity of three New Brassinosteroids Analogues

Espinoza, Luis, Bulat, Felipe, Coll, Danahe, Coll, Francisco, Preite, Marcelo D., Cortés, Manuel

Journal:

Synthetic Communications

Year:

2000

Language:

english

File:

PDF, 445 KB

english, 2000

18

Density-functional theory (hyper)polarizabilities of push-pull π-conjugated systems: Treatment of exact exchange and role of correlation

Bulat, Felipe A., Toro-Labbé, Alejandro, Champagne, Benoı̂t, Kirtman, Bernard, Yang, Weitao

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 281 KB

english, 2005

19

A Donor−Nanotube Paradigm for Nonlinear Optical Materials

Xiao, Dequan, Bulat, Felipe A., Yang, Weitao, Beratan, David N.

Journal:

Year:

2008

Language:

english

File:

PDF, 906 KB

english, 2008

20

Optimized effective potentials from electron densities in finite basis sets

Bulat, Felipe A., Heaton-Burgess, Tim, Cohen, Aron J., Yang, Weitao

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.14 MB

english, 2007

21

An algorithm for discrete booleans with applications to finite element modeling of complex systems

Kaan Karamete, B., Dey, Saikat, Mestreau, Eric L., Aubry, Romain, Bulat-Jara, Felipe A.

Journal:

Finite Elements in Analysis and Design

Year:

2013

Language:

english

File:

PDF, 3.39 MB

english, 2013

22

Bridging the Gap between the Topological and Orbital Description of Hydrogen Bonding: The Case of the Formic Acid Dimer and Its Sulfur Derivatives

Gutiérrez-Oliva, Soledad, Joubert, Laurent, Adamo, Carlo, Bulat, Felipe A., Zagal, José H., Toro-Labbé, Alejandro

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 112 KB

english, 2006

23

Optimized Effective Potentials in Finite Basis Sets

Heaton-Burgess, Tim, Bulat, Felipe A., Yang, Weitao

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 344 KB

english, 2007

24

Giant negative magnetoresistance and a transition from strong to weak localization in hydrogenated graphene

Matis, Bernard R., Bulat, Felipe A., Friedman, Adam L., Houston, Brian H., Baldwin, Jeffrey W.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 636 KB

english, 2012

25

Lead-molecule coupling effects on the distortion-dependent conductance of carbon nanotubes

Bulat, Felipe A., Ke, San-Huang, Yang, Weitao, Couchman, Luise

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 124 KB

english, 2008

26

Chemically functionalized graphene for bipolar electronics

Matis, Bernard R., Bulat, Felipe A., Friedman, Adam L., Houston, Brian H., Baldwin, Jeffrey W.

Journal:

Applied Physics Letters

Year:

2013

Language:

english

File:

PDF, 1.21 MB

english, 2013

27

[American Institute of Aeronautics and Astronautics 50th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition - Nashville, Tennessee ()] 50th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition - Geodesics-based surface reparametrization

Aubry, Romain, Karamete, Kaan, Mestreau, Eric, Bulat-Jara, Felipe, Dey, Saikat, Lohner, R

Year:

2012

Language:

english

File:

PDF, 5.08 MB

english, 2012

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