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  Partner: UNT College of Arts and Sciences
Olefin Substitution in (silox)3M(olefin) (silox = tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity

Olefin Substitution in (silox)3M(olefin) (silox = tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity

Date: January 8, 2008
Creator: Hirsekorn, Kurt F.; Hulley, Elliott B.; Wolczanski, Peter T. & Cundari, Thomas R., 1964-
Description: This article discusses the role of density of states in second vs third row transition metal reactivity.
Contributing Partner: UNT College of Arts and Sciences
Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study

Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study

Date: October 6, 2007
Creator: Cundari, Thomas R., 1964-; Grimes, Thomas V. & Gunnoe, T. Brent
Description: Article discussing a computational study on the activation of carbon-hydrogen bonds via 1,2-addition across M-X (X = OH or NH2) bonds of d6 transition metals as a potential key step in hydrocarbon functionalization.
Contributing Partner: UNT College of Arts and Sciences
Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene

Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene

Date: May 9, 2007
Creator: Foley, Nicholas A.; Lail, Marty; Lee, John P.; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Petersen, Jeffrey L.
Description: Article discussing research on the comparative reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3) and the impact of ancillary ligand L on activation of carbon-hydrogen bonds including catalytic hydroarylation and hyrdovinylation/oligomerization of ethylene.
Contributing Partner: UNT College of Arts and Sciences
Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox = tBu3SiO)

Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox = tBu3SiO)

Date: September 6, 2008
Creator: Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Description: This article discusses low coordinate, monomeric molybdenum and tungsten(III) complexes.
Contributing Partner: UNT College of Arts and Sciences
Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2

Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2

Date: February 19, 2009
Creator: Frazier, Brenda A.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Description: Article discussing unusual electronic features and reactivity of the dipyridylazaallyl ligand and characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N and [(TMS)2NFe] 2(smif)2.
Contributing Partner: UNT College of Arts and Sciences
Re-assessing the science - society relation: The case of the US National Science Foundation's broader impacts merit review criterion (1997 - 2011)

Re-assessing the science - society relation: The case of the US National Science Foundation's broader impacts merit review criterion (1997 - 2011)

Date: 2012
Creator: Holbrook, J. Britt
Description: Article discussing research on re-assessing the science to society relation and the case of the U.S. National Science Foundation's broader impacts merit review criterion from 1997 to 2011.
Contributing Partner: UNT College of Arts and Sciences
[Review] Tempting Fate: The Ethics of Dual-Use Research

[Review] Tempting Fate: The Ethics of Dual-Use Research

Date: March 20, 2009
Creator: Briggle, Adam
Description: Book review discussing "Ethical and Philosophical Consideration of the Dual-Use Dilemma in the Biological Sciences," by Seumas Miller and Michael J. Selgelid and published in 2008. In this book review, the author discusses the ethics of dual-use research.
Contributing Partner: UNT College of Arts and Sciences
First-principles analysis of electron-phonon interactions in graphene

First-principles analysis of electron-phonon interactions in graphene

Date: March 16, 2010
Creator: Borysenko, Kostyantyn M.; Mullen, Jeffrey T.; Barry, E. A.; Paul, S.; Semenov, Yuriy G.; Zavada, J. M. et al.
Description: Article on first-principles analysis of electron-phonon interactions in graphene.
Contributing Partner: UNT College of Arts and Sciences
Structural and electronic properties of carbon nanotube tapers

Structural and electronic properties of carbon nanotube tapers

Date: October 29, 2001
Creator: Meunier, Vincent; Buongiorno Nardelli, Marco; Roland, Christopher & Bernholc, Jerry
Description: Article on structural and electronic properties of carbon nanotube tapers, a set of nanostructures comprised of straight tubular sections with decreasing diameters, joined to each other via conical funnels and terminated with a hemispherical cap.
Contributing Partner: UNT College of Arts and Sciences
Collective polarization effects in β-polyvinylidene fluoride and its copolymers with tri- and tetrafluoroethylene

Collective polarization effects in β-polyvinylidene fluoride and its copolymers with tri- and tetrafluoroethylene

Date: September 23, 2005
Creator: Nakhmanson, Serge M.; Buongiorno Nardelli, Marco & Bernholc, Jerry
Description: Article on collective polarization effects in β-polyvinylidene fluoride and its copolymers with tri- and tetrafluoroethylene.
Contributing Partner: UNT College of Arts and Sciences