K
Kim K. Baldridge
Researcher at Tianjin University
Publications - 251
Citations - 27098
Kim K. Baldridge is an academic researcher from Tianjin University. The author has contributed to research in topics: Corannulene & Ab initio. The author has an hindex of 47, co-authored 248 publications receiving 25589 citations. Previous affiliations of Kim K. Baldridge include University of Zurich & Nankai University.
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General atomic and molecular electronic structure system
Michael W. Schmidt,Kim K. Baldridge,Jerry A. Boatz,Steven T. Elbert,Mark S. Gordon,Jan H. Jensen,Shiro Koseki,Nikita Matsunaga,Kiet A. Nguyen,Shujun Su,Theresa L. Windus,Michel Dupuis,John A. Montgomery +12 more
TL;DR: A description of the ab initio quantum chemistry package GAMESS, which can be treated with wave functions ranging from the simplest closed‐shell case up to a general MCSCF case, permitting calculations at the necessary level of sophistication.
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The structure of the chromophore within DsRed, a red fluorescent protein from coral
TL;DR: This assay suggests that conversion from green to red chromophores remains incomplete even after prolonged aging in DsRed, and quantitatively accounts for the red shift according to quantum mechanical calculations.
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Ab initio reaction paths and direct dynamics calculations
TL;DR: In this paper, a detailed study of methods for generating the minimum energy path of a chemical reaction using ab initio electronic structure calculations is presented; the convergence with respect to step size of the geometry and energy along this path is studied with several algorithms.
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Structure/energy correlation of bowl depth and inversion barrier in corannulene derivatives: combined experimental and quantum mechanical analysis.
TL;DR: Synthesis of a series of corannulene derivatives with varying bowl depths has allowed for a study correlating the structure (bowl depth) and the energy of bowl inversion.
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Proton-catalyzed, silane-fueled Friedel-Crafts coupling of fluoroarenes.
TL;DR: It is shown that phenyl cation equivalents, generated from otherwise unreactive aryl fluorides, allow extension of the Friedel-Crafts reaction to intramolecular aries couplings, and Silicon-fluorine bond formation expands the range of compounds that can be used in a reaction that forms carbon-carbon bonds.