相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。A Systematic Approach to Identify Cooperatively Bound Homotrimers
Jack Yang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
JACOB: A Dynamic Database for Computational Chemistry Benchmarking
Jack Yang et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
The ORCA program system
Frank Neese
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Gabedit-A Graphical User Interface for Computational Chemistry Softwares
Abdul-Rahman Allouche
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Software News and Updates PyADF - A Scripting Framework for Multiscale Quantum Chemistry
Christoph R. Jacob et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Scientific workflow design for mere mortals
Timothy McPhillips et al.
FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF ESCIENCE (2009)
Toward the exact solution of the electronic Schrodinger equation for noncovalent molecular interactions:: Worldwide distributed quantum Monte Carlo calculations
Martin Korth et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Workflow based framework for life science informatics
Abhishek Tiwari et al.
COMPUTATIONAL BIOLOGY AND CHEMISTRY (2007)
Taverna: a tool for the composition and enactment of bioinformatics workflows
T Oinn et al.
BIOINFORMATICS (2004)
QUASI:: A general purpose implementation of the QM/MM approach and its application to problems in catalysis
P Sherwood et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2003)
MM3 parametrization of four- and five-coordinated rhenium complexes by a genetic algorithm - Which factors influence the optimization performance?
T Strassner et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)