Allocation of Computer Time

O.P. acknowledges support of the Ministry of Science and Technology (CONACyT) of Mexico (Grant No. 25301-E) and the National University of Mexico (project INI 11597). O.P. is also grateful to Silicon Graphics Inc.-Cray Research of Mexico for partial financial support and generous allocation of computer time. 

The work has been supported by The Danish Research Councils (Grants 11-0924-1 and 9600856), and through allocation of computer time at Uni-C, Lundtofte, Denmark (Grants 5.21.05.06 and 9701136). We are grateful to Dr. Frank Jensen, University of Odense, for valuable suggestions and discussions. 

Support of this research by the donors of the Petroleum Research Fund, administered by the American Chemical Society and by the National Science Foundation (CHE 8504737) is gratefully acknowledged. We thank the University of Massachusetts Computing Center for generous allocation of computing time. 

Acknowledgments This work was carried out with financial support from the Ministerio de Education y Ciencia (Project No. CTQ2006-14487-C02-01/BQU) and Comunidad Autonoma de Madrid (Project MADRISOLAR, ref. S-0505/PPQ/0225). Thanks are given to the CTI (CSIC) for the allocation of computer time. 

The authors thank the National Science Foundation for financial support, the University of Arizona Computer Center for a generous allocation of computer time, and the Australian-American Education Foundation for a Fulbright-Hays Grant. We thank K. F. Bizot and D. McAuley for technical assistance. 

Acknowledgements F.B. and S.C.A. acknowledge a grant from the U.K. Engineering and Physical Sciences Research Council, B.L. acknowledges an allocation of computer time at the IDRIS computer center and A.K. a grant from the US National Science Foundation. 

We would like to thank the NIH (GM-29072) for their generous support of this research. The Pittsburgh Supercomputer Center and The Cornell Theory Center through a MetaCenter grant are acknowledged for generous allocations of computer time. 

The NIH (GM051501, GM072558 and GM070855) is thanked for financial support, we acknowledge the University of Maryland Computer-Aided Drug Design Center and the XSEDE resources for their generous allocations of computer time. 

The authors work on PCMs has been supported by the National Science Foundation (grant nos. CHE-0748448 and CHE-1300603, to J.M.H.], through an Ohio State Presidential Fellowship (to A.W.L.), and through generous allocations of computing time from the Ohio Supercomputer Center (project nos. PAS-0291 and PAA-0003). 

Acknowledgments I wish to express my thanks to the National Computational Infrastructure (NCI) National Facility and Intersect Australia Ltd for their generous allocation of computer time. 

A generous allocation of computer time by the Alabama Supercomputer Network and financial support by the National Aeronautics and Space Administration (Contract NAGW-812) and the NASA Space Grant Fellowship Program is gratefully acknowledged. 

Acknowledgments The authors are grateful to the Wroclaw Centre for Networking and Supercomputing for generous allocation of computer time. 

Acknowledgments The authors would like to thank Professor S. R. Elliott for many helpful suggestions. This work was supported by the Army Research Office under Grant No W91 INFl 110358. This work was also supported in part by an allocation of computing time from the Ohio Supercomputer Center. 

Acknowledgements. The authors are grateful to CNRS IDRIS for allocation of computer time, to PRACTIS for support, and to E. Engler for software developments. LT and GW thank EEC (F14W-CT0022 contract) for a grant. FB and NM thank the French Ministry of Research for a grant. 

Camille Dreyfus Foundation, and through generous allocations of computing time from the Ohio Supercomputer Center (project nos. PAS-0291 and PAA-0003). 

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