In the course of the routine use of NMR as an aid for organic chemistry, a day-to-day problem is the identifica- tion of signals deriving from common contaminants (water, solvents, stabilizers, oils) in less-than-analyti- cally-pure samples. This…
Chemistry
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Insights into conducting research and the writing of scientific papers are given by Prof. Whitesides in this short essay. The manuscript and its guidelines has been circulated within the Whitesides' research group since 1989.
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Tables of 1H and 13C NMR chemical shifts have been compiled for common organic compounds often used as reagents or found as products or contaminants in deuterated organic solvents. Building upon the work of Gottlieb, Kotlyar, and Nudelman in the…
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Contents 1. Historic Introduction 293 2. General Background: Quantum Size Effect and Single-Electron Transitions 294 3. Synthesis and Assembly 296 3.1. Citrate Reduction 296 3.2. The Brust-Schiffrin Method: Two-Phase Synthesis and Stabilization by…
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Choosing good problems is essential for being a good scientist. But what is a good problem, and how do you choose one? The subject is not usually discussed explicitly within our profession. Scientists are expected to be smart enough to figure it out…
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Graphene is a rapidly rising star on the horizon of materials science and condensed-matter physics. This strictly two-dimensional material exhibits exceptionally high crystal and electronic quality, and, despite its short history, has already…
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Generalized gradient approximations (GGA's) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present a simple derivation of a simple GGA, in which all parameters (other…
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Cysteine is commonly used to attach peptides onto gold surfaces. Here we show that the inclusion of an additional linker with a length of four residues (-PPPPC) and a rigid, hydrophobic nature is a better choice for forming peptide self-assembled…
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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic MoleculesWe present the derivation of a new molecular mechanical force field for simulating the structures, conformational energies, and interaction energies of proteins, nucleic acids, and many related organic molecules in condensed phases. This effective…
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Content 1. General Introduction and Comments 1025 2. Preparation of Nanostructures of Different Shapes 1027 2.1. Introduction: Nucleation and Particle Growth 1027 2.2. Preparation Methods 1028 2.2.1. Sol Process 1028 2.2.2. Micelles 1031 2.2.3.…
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Chemistry is dominated by the study of species in solution. Although any liquid may be used as a solvent, relatively few are in general use. However, as the introduction of cleaner technologies has become a major concern throughout both industry and…
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Graphene is the name given to a two-dimensional sheet of sp2-hybridized carbon. Its extended honeycomb network is the basic building block of other important allotropes; it can be stacked to form 3D graphite, rolled to form 1D nanotubes, and wrapped…
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THE large-scale use of photovoltaic devices for electricity generation is prohibitively expensive at present: generation from existing commercial devices costs about ten times more than conventional methods 1. Here we describe a photovoltaic cell,…
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THE synthesis of molecular carbon structures in the form of C60 and other fullerenes 1 has stimulated intense interest in the structures accessible to graphitic carbon sheets. Here I report the preparation of a new type of finite carbon structure…
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Technological improvements in rechargeable solid-state batteries are being driven by an ever-increasing demand for portable electronic devices. Lithium-ion batteries are the systems of choice, offering high energy density, flexible and lightweight…
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This paper deals with the ground state of an interacting electron gas in an external potential v(r). It is proved that there exists a universal functional of the density, Fn(r), independent of v(r), such that the expression Ev(r)n(r)dr+Fn(r) has as…
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The parametrization and testing of the OPLS all-atom force field for organic molecules and peptides are described. Parameters for both torsional and nonbonded energetics have been derived, while the bond stretching and angle bending parameters have…
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A review with 409 refs. Mechanism and components (monomers, initiators, catalysts, ligands, solvents, and additives) for atom transfer radical polymn. (ATRP) are introduced. Polymers made by ATRP methods are discussed. They are gradient copolymer,…
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All the texts that should be read by everyone in biological sciences at least once! For everyone adding papers to the collection, it would help a… -
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Post DocHarvard University, Department of Chemistry and Chemical Biology