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Hydrophobic and Hydrogen-Bonding Effects on the Rate of Diels−Alder Reactions in Aqueous Solution

Type: Journal Paper

Author : Thomas R. Furlani; Jiali Gao

Year: 1996

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Lennard–Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential

Type: Journal Paper

Author : Marek Freindorf; Yihan Shao; Thomas R. Furlani; Jing Kong

Publisher: John Wiley and Sons

Year: 2005

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Performance metrics and auditing framework using application kernels for high-performance computer systems

Type: Journal Paper

Author : Thomas R. Furlani; Matthew D. Jones; Steven M. Gallo; Andrew E. Bruno; Charng-Da Lu; Amin Ghadersohi; Ryan J. Gentner; Abani Patra; Robert L. DeLeon; Gregor von Laszewski; Fugang Wang; Ann Zimmerman

Publisher: John Wiley and Sons

Year: 2012

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Hydrophobic and Hydrogen-Bonding Effects on the Rate of Diels−Alder Reactions in Aqueous Solution

Lennard–Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential

Performance metrics and auditing framework using application kernels for high-performance computer systems

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Hydrophobic and Hydrogen-Bonding Effects on the Rate of Diels−Alder Reactions in Aqueous Solution

Lennard–Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential

Performance metrics and auditing framework using application kernels for high-performance computer systems