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Large Area, Few-Layer Graphene Films on Arbitrary Substrates by Chemical Vapor Deposition
In this work we present a low cost and scalable technique, via ambient pressure chemical vapor deposition (CVD) on polycrystalline Ni films, to fabricate large area ( approximat...
The algebraic eigenvalue problem
Theoretical background Perturbation theory Error analysis Solution of linear algebraic equations Hermitian matrices Reduction of a general matrix to condensed form Eigenvalues o...
Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019
This review is an updated and expanded version of the five prior reviews that were published in this journal in 1997, 2003, 2007, 2012, and 2016. For all approved therapeutic ag...
Molecular dynamics simulations at constant pressure and/or temperature
In the molecular dynamics simulation method for fluids, the equations of motion for a collection of particles in a fixed volume are solved numerically. The energy, volume, and n...
Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMolecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the SolventJacopo Tomasi and Maurizio...
A local exchange-correlation potential for the spin polarized case. i
The local density theory is developed by Hohenberg, Kohn and Sham is extended to the spin polarized case. A spin dependent one- electron potential pertinent to ground state prop...
Surface-enhanced spectroscopy
In 1978 it was discovered, largely through the work of Fleischmann, Van Duyne, Creighton, and their coworkers that molecules adsorbed on specially prepared silver surfaces produ...
Light-Induced Redox Reactions in Nanocrystalline Systems
A review with 156 refs. on interfacial electron transfer reactions in colloidal semiconductor solns. and thin films and their application for solar light energy conversion and p...
AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings
AutoDock Vina is arguably one of the fastest and most widely used open-source programs for molecular docking. However, compared to other programs in the AutoDock Suite, it lacks...
Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
This article introduces MMFF94, the initial published version of the Merck molecular force field (MMFF). It describes the objectives set for MMFF, the form it takes, and the ran...