Title: Comment on "Generalized gradient approximation made simple" Author(s): ZHANG, YK; YANG, WT Source: PHYSICAL REVIEW LETTERS Volume: 80 Issue: 4 Pages: 890-890 Published: JAN 26 1998 Times Cited: 368
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21-Jan-08
2.
Title: A pseudobond approach to combining quantum mechanical and molecular mechanical methods Author(s): ZHANG, YK; LEE, TS; YANG, WT Source: JOURNAL OF CHEMICAL PHYSICS Volume: 110 Issue: 1 Pages: 46-54 Published: JAN 1 1999 Times Cited: 223
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21-Jan-08
3.
Title: Free energy calculation on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combined ab initio QM/MM potential energy surface Author(s): ZHANG, YK; LIU, HY; YANG, WT Source: JOURNAL OF CHEMICAL PHYSICS Volume: 112 Issue: 8 Pages: 3483-3492 Published: FEB 22 2000 Times Cited: 188
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21-Jan-08
4.
Title: A challenge for density functionals: Self-interaction error increases for systems with a noninteger number of electrons Author(s): ZHANG, YK; YANG, WT Source: JOURNAL OF CHEMICAL PHYSICS Volume: 109 Issue: 7 Pages: 2604-2608 Published: AUG 15 1998 Times Cited: 172
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21-Jan-08
5.
Title: Describing van der Waals Interaction in diatomic molecules with generalized gradient approximations: The role of the exchange functional Author(s): ZHANG, YK; PAN, W; YANG, WT Source: JOURNAL OF CHEMICAL PHYSICS Volume: 107 Issue: 19 Pages: 7921-7925 Published: NOV 15 1997 Times Cited: 166
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21-Jan-08
6.
Title: Role of the catalytic triad and oxyanion hole in acetylcholinesterase catalysis: An ab initio QM/MM study Author(s): ZHANG, YK; KUA, J; MCCAMMON, JA Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 124 Issue: 35 Pages: 10572-10577 Published: SEP 4 2002 Times Cited: 89
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21-Jan-08
7.
Title: Degenerate ground states and a fractional number of electrons in density and reduced density matrix functional theory Author(s): YANG, WT; ZHANG, YK; AYERS, PW Source: PHYSICAL REVIEW LETTERS Volume: 84 Issue: 22 Pages: 5172-5175 Published: MAY 29 2000 Times Cited: 78
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21-Jan-08
8.
Title: How is the active site of enolase organized to catalyze two different reaction steps? Author(s): LIU, HY; ZHANG, YK; YANG, WT Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 122 Issue: 28 Pages: 6560-6570 Published: JUL 19 2000 Times Cited: 68
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21-Jan-08
9.
Title: Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautornerase Author(s): CISNEROS, GA; LIU, HY; ZHANG, YK; et al. Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 125 Issue: 34 Pages: 10384-10393 Published: AUG 27 2003 Times Cited: 55
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21-Jan-08
10.
Title: Influence of structural fluctuation on enzyme reaction energy barriers in combined quantum mechanical/molecular mechanical studies Author(s): ZHANG, YK; KUA, J; MCCAMMON, JA Source: JOURNAL OF PHYSICAL CHEMISTRY B Volume: 107 Issue: 18 Pages: 4459-4463 Published: MAY 8 2003 Times Cited: 55
