Implementation science is a new field that aims to scale up and sustain the application of evidence-based practice. It primarily studies the dissemination, adoption, evaluation, and improvement, etc. of the implementation process of evidence-based practice. In recent years, tens of implementation theories, frameworks and models have been developed. We systematically collected 41 of them and classified them into several categories. The first is the classical theories which are extended from the traditional social science and used as the predecessors of the implementation science. The second category is the implementation science frameworks/models that are derived from the first category, and can be divided into four groups: 1) the implementation models that explain the law of a certain aspect in the implementation; 2) the implementation determinants frameworks that summarize and classify the implementation determinants; 3) the process models that discuss how research translates into practice; 4) the evaluation models that evaluate the implementation and outcome. The implementation science theories can provide implementation researchers with valuable guidance for development of implementation strategies and evaluation of implementation outcomes.