M
Mark A. Ratner
Researcher at Northwestern University
Publications - 969
Citations - 72503
Mark A. Ratner is an academic researcher from Northwestern University. The author has contributed to research in topics: Electron transfer & Molecular electronics. The author has an hindex of 127, co-authored 968 publications receiving 68132 citations. Previous affiliations of Mark A. Ratner include University of California, San Diego & Dow Chemical Company.
Papers
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Journal ArticleDOI
Electron transport in molecular wire junctions.
TL;DR: Molecular conductance junctions are structures in which single molecules or small groups of molecules conduct electrical current between two electrodes and there is still limited correspondence between experimental and theoretical studies of these systems.
Journal ArticleDOI
Design and construction of molecular assemblies with large second-order optical nonlinearities. Quantum chemical aspects
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6-31G* basis set for third-row atoms
TL;DR: Medium basis sets based upon contractions of Gaussian primitives are developed for the third‐row elements Ga through Kr, and good agreement with bond lengths and angles for representative vapor‐phase metal complexes is shown.
Book
Molecular electronic-structure theory
TL;DR: Second Quantization Spin in Second Quantization Orbital Rotations Exact and Approximate Wave Functions The Standard Models Atomic Basis Functions Short-range Interactions and Orbital Expansions Gaussian Basis Sets Molecular Integral Evaluation Hartree-Fock Theory Configuration-Interaction Theory Multiconfigurational Self-Consistent Field Theory Coupled-Cluster Theory Perturbation Theory Calibration of the Electronic-Structure Models List of Acronyms Index
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6-31G * basis set for atoms K through Zn
TL;DR: In this article, a medium basis set based upon contractions of Gaussian primitives was developed for the third-row elements K through Zn. The basis functions generalize the 6-31G and 631G* sets commonly used for atoms up to Ar.