Papers

With Tag: General Chemistry

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Molecular Architectures

Christopher A. Reed
Acc. Chem. Res. | 2005 | 10.1021/ar050039e

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Excited Electronic States and Nonadiabatic Effects in Contemporary Chemical Dynamics

Susanta Mahapatra
Acc. Chem. Res. | 2009 | 10.1021/ar800186s

The question of how to describe the crossing of molecular electronic states is one of the most challenging issues in contemporary chemical dynamics. In recent years, the fundamental concept of conical intersections (CIs) of electronic potential energy...

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Dynamics of the Photoexcited Electron at the Chromophore–Semiconductor Interface

Victor V. Prezhdo, Oleg V. Prezhdo, Walter R. Duncan
Acc. Chem. Res. | 2008 | 10.1021/ar700122b

Electron dynamics at molecular−bulk interfaces play a central role in a number of different fields, including molecular electronics and sensitized semiconductor solar cells. Describing electron behavior in these systems is difficult because it requires a...

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Cones and Tubes:  Geometry in the Chemistry of Carbon

Thomas W. Ebbesen
Acc. Chem. Res. | 1998 | 10.1021/ar960168i

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Low-Valent Ruthenium and Iridium Hydride Complexes as Alternatives to Lewis Acid and Base Catalysts

Shun-Ichi Murahashi, Hikaru Takaya
Acc. Chem. Res. | 2000 | 10.1021/ar980085x

The discovery of a new chemical reaction often leads to new applications and new chemical principles. Low-valent ruthenium and iridium hydride complexes are highly useful redox Lewis acid and base catalysts. Nitriles are activated by these catalysts and...

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Reduced Metallic Properties of Ligand-Stabilized Small Metal Clusters

Uwe Hartmann, Günter Schmid, Huijing Zhang
Nano Letters | 2003 | 10.1021/nl0258980

Low-temperature ultrahigh-vacuum scanning tunneling microscopy was employed to analyze the electronic behavior of Au 55 clusters stabilized by [P(C 6 H 5 ) 3 ] 12 Cl 6 ligands. At 7 K, the actual arrangement of the C 6 H 5 rings of the ligand molecules...

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Observation of Breathing-like Modes in an Individual Multiwalled Carbon Nanotube

Carola Meyer, Matthias Müller, Christian Spudat, Karin Goss, Janina Maultzsch, Claus M. Schneider, Lothar Houben, Christian Thomsen
Nano Lett. | 2010 | 10.1021/nl102305a

We study collective vibrational breathing modes in the Raman spectrum of a multiwalled carbon nanotube. In correlation with high-resolution transmission electron microscopy, we find that these modes have energies differing by more than 23% from the radial...

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Carbon Nanotube−Metal Cluster Composites:  A New Road to Chemical Sensors?

Q. Zhao, J. Bernholc, M. Buongiorno Nardelli, W. Lu
Nano Lett. | 2005 | 10.1021/nl050167w

Novel carbon nanotube−metal cluster structures are proposed as prototype systems for molecular recognition at the nanoscale. Ab initio calculations show that already the bare nanotube cluster system displays some specificity because the adsorption of ammonia...

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Stiffness, Strength, and Ductility of Nanoscale Thin Films and Membranes: A Combined Wrinkling–Cracking Methodology

Christopher M. Stafford, Kathryn L. Beers, Jung-Hyun Lee, Jun Young Chung
Nano Lett. | 2011 | 10.1021/nl201764b

We establish and validate a measurement method based on wrinkling–cracking phenomena that allows unambiguous measurements of three fundamental mechanical properties in nanoscale thin film geometries, including elastic modulus, strength, and fracture strain....

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Anomalously Immobilized Water:  A New Water Phase Induced by Confinement in Nanotubes

Sony Joseph, Eric Jakobsson, N. R. Aluru, R. Jay Mashl
Nano Letters | 2003 | 10.1021/nl0340226

Confinement can induce unusual behavior in the properties of matter. Using molecular dynamics simulations, we show here that water confined to carbon nanotubes of a critical size under ambient conditions (1 bar, 300 K) can undergo a transition into a state...

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Spin of Semiconductor Quantum Dots under Hydrostatic Pressure

Yun Tang, Min Ouyang, Viktor V. Struzhkin, Russell J. Hemley, Alexander F. Goncharov
Nano Lett. | 2009 | 10.1021/nl9037399

Spin coherence dynamics of semiconductor quantum dots under hydrostatic pressure has been investigated by combining the ultrafast optical orientation method with the diamond-anvil cell technique. Spin confined within quantum dots is observed to be robust up...

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Breaking of Nanotube Symmetry by Substrate Polarization

Slava V. Rotkin, Alexey G. Petrov
Nano Letters | 2003 | 10.1021/nl034094x

Substrate and nanotube polarization are shown to qualitatively change a nanotube bandstructure. The effect is studied in a linear approximation in an external potential which causes the changes. A work function difference between the nanotube and gold surface...

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Transport of radon‐222 and methyl iodide by deep convection in the GFDL Global Atmospheric Model AM2

D R Blake, N J Blake, Leo J Donner, Larry W Horowitz, Charles J Seman, A Fiore
Journal of Geophysical Research | 2007 | 10.1029/2006JD007548

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Tropical Tropopause Desiccation

P Jockel, J Lelieveld, Benn Steil, Ch Bruhl, Hubertus Fischer, P Hoor, H Tost, M G Lawrence, Paul J Crutzen

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Air Pollution Health Effects: Toward an Integrated Assessment

Sergey Paltsev, Trent Yang, John M Reilly
Epidemiology | 2004

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Using the Science Writing Heuristic to Improve Students' Understanding of General Equilibrium.

Thomas J Greenbowe, Brian Hand, James A Rudd
Journal of Chemical Education | 2007

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Crystal Structure of ClF4+SbF6-, Normal Coordinate Analyses of ClF4+, BrF4+, IF4+, SF4, SeF4, and TeF4, and Simp

Karl O. Christe, Xiongzhi Zhang, Jeffrey A. Sheehy, Robert Bau
Journal of American Chemical Society | 2001 | 10.1021/ja003347a

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A Solid-State 1NMR and Theoretical Study of the Chemical Bonding in Disilenes

Robert West, Jefferson D. Cavalieri, Jarrod J. Buffy, Charles Fry, Kurt W. Zilm, James C. Duchamp, Mitsuo Kira, Takeaki Iwamoto, Thomas Müller, Yitzhak Apeloig
Journal of American Chemical Society | 1997 | 10.1021/ja963921b

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Characterization of Electronic Structure in Molecules by One-Center Expansion Techniques. No Three-Center Four-Electron Bond in PF5

Marco Häser
Journal of American Chemical Society | 1996 | 10.1021/ja953109t

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