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JCC
2007
79views more  JCC 2007»
15 years 6 months ago
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
Abstract: A hybrid quantum mechanical/molecular mechanical (QM/MM) potential energy function with HartreeFock, density functional theory (DFT), and post-HF (RIMP2, MP2, CCSD) capab...
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. ...
TOSEM
2008
168views more  TOSEM 2008»
15 years 6 months ago
Developing and debugging algebraic specifications for Java classes
Modern programs make extensive use of reusable software libraries. For example, a study of a number of large Java applications shows that between 17% and 30% of the classes in tho...
Johannes Henkel, Christoph Reichenbach, Amer Diwan
ETS
2000
IEEE
156views Hardware» more  ETS 2000»
15 years 6 months ago
Parallel On-Line and In-Class Sections of "Writing for the Professions": A Practical Experiment
This paper describes experiences with on-line and in-class sections of a writing-intensive course, including a collaborative library literacy unit. It reports on a mid-semester so...
Victoria Hay, Dennis Isbell
ETS
2000
IEEE
113views Hardware» more  ETS 2000»
15 years 6 months ago
NetChat: Communication and Collaboration via WWW
Practice has shown that providing content to students alone is not sufficient for good learning results. In computer based training (CBT) and especially webbased training (WBT) en...
Reinhard Kreutz, Sven Kiesow, Klaus Spitzer
ENTCS
2002
84views more  ENTCS 2002»
15 years 6 months ago
Programming Autonomous Robots in Curry
In this paper we present a framework to program autonomous robots in the declarative multi-paradigm language Curry. This is an experiment to use high-level declarative programming...
Michael Hanus, Klaus Höppner
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