- June 21st, 2006 The Fundamental Difference Between a Nanodroplet and Bulk Solution: the Mystery of Rings
- June 7th, 2006 Adventures with Substances Containing Metals in Negative Oxidation States
- April 12th, 2006 One Step to Crosslinkable Polystyrenes
- March 29th, 2006 Identification
of Proteins Involved in Rubber Biosynthesis
- March 15th, 2006 Phorboxazole analogs induce association of cdk4 with extranuclear cytokeratin intermediate filaments
- March 1st, 2006 Nanometer-length scale spatial distribution of singlet oxygen in natural waters
- February 15th, 2006 Critical Properties of Aluminum
- February 1st, 2006 Simulating
Fluid Phase Equilibria of Water from First Principles
- January 18st, 2006 Improved
Density Functionals for Water
- January 4th, 2006 Enzyme
Catalysis: Quantum Effects and Non-perfect Synchronization
- December 21st, 2005 Tailoring nanoporous materials
- December 7th, 2005 Improvement
of charge-dependent response properties in semiempirical QM/MM models
for RNA catalysis
- November 23rd, 2005 Simultaneous
Segregated Storage of Two Agents in a Multicompartment Micelle
- November 9th, 2005 The First Example of an RS-Fe(IV)=O Complex
Relevant to the Active Species of Cytochrome P450
- October 26th, 2005 New
Copper-Sulfur Complexes With Unusual Electronic Structures: Progress
Toward Synthetic Models of the Tetracopper-Sulfide Catalytic Site in
Nitrous Oxide Reductase
- October 12th, 2005 Selective
chemical modification of biological molecules
- September 28th, 2005 Ionophore-Based Chemical Sensors: Testing the Limits of Fluoroelectrochemistry
- September 14th, 2005 PM3BP : A new semiempirical quantum
model for hydrogen bonded nucleic acid base pairs
- August 31st, 2005 Photodissociation of NH3
- August 17rd, 2005 Hoye
and Ryba Describe a Desymmetrization Strategy for the Synthesis of
a (+)-Peloruside A Fragment
- August 3rd, 2005 Monolithic Macroporous Carbon Electrodes for Lithium-Ion Secondary Batteries
- July 20th, 2005 Ionization
of Molecular Liquids at High Laser Intensities
- July 6nd, 2005 Elucidating
the vibrational spectra of hydrogen-bonded aggregates in solution
- June 22nd, 2005 Mono-
and digallane complexes of a tridentate amido-diamine ligand
- June 6th, 2005 Molecular Sliding Creates Charge-Traps in an Organic Semiconductor - Pentacene
- May 11th, 2005 Low
Temperature Trapping of a Diiron-Superoxo Intermediate
- May 11th, 2005 Tuning
the Diradical Character of meta-Arynes
- April 27th, 2005 Analytical
techniques to investigate the sequestration of anticancer drugs in individual
acidic organelles
- April 13th, 2005 The contribution
of phosphate-phosphate repulsions to the free energy of DNA
bending
- March 30th, 2005 Ring-Opening Polymerization of Macrocycles: A New Route to Green Polymers
- March 16th, 2005 Ring Around the Nitrogen
- March 2nd, 2005 Quantum mechanical reaction rate constants by vibrational configuration interaction
- February 16th, 2005 Molecular Rods of GaN Emit Blue Light
- February 2nd, 2005 Stable Dioxetane Precursors as Selective Trap-and-Trigger Chemiluminescent Probes for Singlet Oxygen
- January 5th, 2005 Simulating Green Solvents
- December 22nd, 2004 Cloaking
Sensitive Nanoparticles for Chemical Invincibility
- December 8th, 2004 Structural Insights into Nonheme Alkylperoxoiron(III) and Oxoiron(IV) Intermediates
- November 24th, 2004 New
methods for treatment of long-range electrostatic interactions in quantum
simulations of biochemical reactions
- November 10th, 2004 Dioxygen Activation at a Single Copper Site
- October 27th, 2004 Multicompartment
Micelles from ABC Triblock Copolymer Miktoarm Stars
- October 13th, 2004 Self-assembly
of nanoelectronic component arrays by hybridization to 2D DNA scaffolding
- September 29th, 2004 Multi-scale quantum models for RNA catalysis
- September 15th, 2004 Spheres,
worms and vesicles in organic block copolymer systems
- September 1st,
2004 Trans-Editing
of Cys-tRNAPro by Haemophilus influenzae YbaK Protein
- August 18th, 2004 Renewable
Resource Polymers for Polylactide Toughening
- August 4th, 2004 Pseudomorphic
Transformations of Nanostructured Silica to Titania
- July 21st, 2004 Hybrid
QM/MM study of thio effects in transphosphorylation reactions: the role
of solvation
- July 7th, 2004 NMR
investigation of a Membrane Protein Dynamics
- June 23rd, 2004 Liquid
Water from First Principles: Validation of Different Sampling Approaches
- June 9th, 2004 Crystallization
under Nanoscopic Confinement: A Prescription for Controlling Crystal Polymorphism
- May 26th, 2004 Combining
SCC-DFTB with Molecular Mechanics GHO Method
- April 14th, 2004 Design
and application of a multi-coefficient correlation method for dispersion
interactions
- March 31st, 2004 Atomic
Layer Deposition of Zirconia and Silica
- March 17th, 2004 Control
of pore hydrophilicity in ordered nanoporous polystyrene
- March 3rd, 2004 Enzymatic
activity on a chip: the critical role of protein orientation
- February 18th, 2004 Synthetic
Compounds that Hydroxylate Hydrocarbons
- February 4th, 2004 Total
Synthesis and Structural Assignment of Spongidepsin via a Stereodivergent
RCM Strategy
- January 21th, 2004 Dynamics
of an Enzymatic Substitution Reaction in Haloalkane Dehalogenase
- January 7th, 2004 Nanotube-Directed
Alignment in Anisotropic Materials
- December 24th, 2003 Insights
into the regioselectivity and RNA binding affinity of HIV-1 nucleocapsid
protein from linear-scaling quantum methods
- December 10th, 2003 Electronic
Structure of Group-13/Group-15 Materials
- November 12th, 2003 Size
Dependent Reactivity of Iron Oxyhydroxide Nanoparticles
- October 29th,
2003
A Highly Active Zinc Catalyst for the Controlled
Polymerization of Lactide
- October 15th,
2003
Metal Carbonyl Anions: from [Fe(CO)4]2- to
[Hf(CO)6]2- and
Beyond
- September 17th,
2003 The Mechanism of Carbocation
Cyclization by Squalene Cyclase
- September
3rd, 2003 Anticancer Drugs
in Individual Mitochondria
- August 20th,
2003 Rational
Design of Ionophore-Based Chemical Sensors
- August 6th, 2003 Structure
and Membrane Interactions of Phospholamban
- July 23rd, 2003
Hybrid QM/MM study of thio effects in transphosphorylation
reactions in solution
- July 9th, 2003
Temperature Dependence of Transfer Properties: Importance of Heat
Capacity Effects
- June 11th, 2003
The Surface Chelate Effect
- May 28th, 2003
What is the Mechanism of Methane C-H Bond Activation by Metallocenes?
- May 14th, 2003
Soft polymer shells for hard nanostructures
- April 30th, 2003
Probing dipole lattices at molecule-metal interfaces
- April 16th, 2003
Structure of Iron(IV)-oxo Complexes - Clues for O2 Activation
- April 2th, 2003 Spectroscopic
Evidence for the Metal-Mediated Conversion of Ethylene to Benzene:
One Nb Atom is Enough!
- March 19th, 2003 An
Unusual Effect of Near-Neighbor Interactions on the Structure of
a Molecule: The Hypersensitivity of HCN-BF3
- March 5th, 2003 Oxidation
of Size-Selected Diesel Nano-Aerosol Particles
- February 19th,
2003 New Homoleptic Anthracene
Complexes of Anionic Metals: Promising Isolable Synthons for
Atoms of Niobium(1-), Tantalum(1-) and Iron(1-)
- February 5th,
2003 Scanning Tunneling Microscopy
With Chemically Modified Gold Tips: In-Situ Reestablishment
of Chemical Contrast
- January 22th, 2003 Spectroscopic
and theoretical characterization of tyrosyl radicals in dipeptides
- January 8th, 2003 Multicoefficient
Correlation Methods for Thermochemistry and Thermochemical Kinetics
- December 25, 2002 Watching
the solvent participate in chemistry in real time
- December 11, 2002 Simulating
the Nucleation of Water/Ethanol and Water/Nonane Mixtures
- November 27, 2002 Growth
and chemical reactivity of goethite (FeOOH) nanoparticles.
- November 13,
2002 Dramatic Improvement in
the Toughness of an Environmentally-Friendly Plastic
- October 30,
2002 Clusters and the Solid State:Probing
the Connection for Gallium Nitride
- October 16, 2002 Transition
States for Quantum Photochemistry and the Breakdown of the Born-Oppenheimer
Approximation for Laser-Induced Chemistry
- October 2, 2002
Snapshots of Dioxygen Activation by Copper
- September
18, 2002 * Ion Sensors for Clinical
Chemistry
- September 4, 2002 *
Molecular functions on the Silicon Oxide Surface
- August 21, 2002
* Green Chemistry: Iron-Catalyzed Asymmetric
Olefin cis-Dihydroxylation
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