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Charles M. Lieber, the former Chair of Harvard University's Chemistry and Chemical Biology Department, was arrested on January 28, 2020, on charges of making false statements to federal authorities regarding his participation in China's Thousand Talents Program, a program established by the Chinese government to recruit individuals with access ...
List of scientific misconduct incidents. Appearance. hide. Scientific misconduct is the violation of the standard codes of scholarly conduct and ethical behavior in the publication of professional scientific research. A Lancet review on Handling of Scientific Misconduct in Scandinavian countries gave examples of policy definitions.
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods.
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [2] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 3 ]
Dalton (named after John Dalton) is an ab initio quantum chemistry computer program suite, consisting of the Dalton and LSDalton programs. [2] The Dalton suite is capable of calculating various molecular properties using the Hartree–Fock, MP2, MCSCF and coupled cluster theories. Version 2.0 of DALTON added support for density functional ...
Gaussian / ˈɡaʊsiən / is a general purpose computational chemistry software package initially released in 1970 by John Pople [1][2] and his research group at Carnegie Mellon University as Gaussian 70. [3] It has been continuously updated since then. [4] The name originates from Pople's use of Gaussian orbitals to speed up molecular ...
Initially intended as a night school, Georgia State University was established in 1913 as the Georgia School of Technology's Evening School of Commerce. [22] A reorganization of the University System of Georgia in the 1930s led to the school becoming the Atlanta Extension Center of the University System of Georgia and allowed night students to earn degrees from several colleges in the ...
Avogadro (software) Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. [3][4][5][6] It is extensible via a plugin architecture. [7]