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This is a list of unsolved problems in chemistry. Problems in chemistry are considered unsolved when an expert in the field considers it unsolved or when several experts in the field disagree about a solution to a problem.
This is an accepted version of this page This is the latest accepted revision, reviewed on 17 February 2025. General-purpose programming language "C programming language" redirects here. For the book, see The C Programming Language. Not to be confused with C++ or C#. C Logotype used on the cover of the first edition of The C Programming Language Paradigm Multi-paradigm: imperative (procedural ...
In theoretical chemistry, chemists, physicists, and mathematicians develop algorithms and computer programs to predict atomic and molecular properties and reaction paths for chemical reactions. Computational chemists, in contrast, may simply apply existing computer programs and methodologies to specific chemical questions. [6]
Computer science is the study of computation, information, and automation. [1] [2] [3] Computer science spans theoretical disciplines (such as algorithms, theory of computation, and information theory) to applied disciplines (including the design and implementation of hardware and software).
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Multiple choice (MC), [1] objective response or MCQ(for multiple choice question) is a form of an objective assessment in which respondents are asked to select only the correct answer from the choices offered as a list. The multiple choice format is most frequently used in educational testing, in market research, and in elections, when a person ...
Dirac is one of the most successful general-purpose quantum chemistry packages that provides accurate description of relativistic effects in molecules, using the Dirac equation as its starting point. [1] The program is available in source code form, at no cost, to the academic community.
There are two main relaxations of QCQP: using semidefinite programming (SDP), and using the reformulation-linearization technique (RLT). For some classes of QCQP problems (precisely, QCQPs with zero diagonal elements in the data matrices), second-order cone programming (SOCP) and linear programming (LP) relaxations providing the same objective value as the SDP relaxation are available.