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5 results  for Everything in this catalogue

Refined by: publisher: Elsevier remove journal title: Journal of molecular structure remove author: Pan, Y remove
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Theoretical investigation of the role of hydrogen bonding during ketosteroid isomerase catalysis

Pan, Y.; McAllister, M. A.

Journal of molecular structure. VOL 504; NUMBER 1-3, ; 2000, 29-33 -- ELSEVIER (pages 29-33) -- 2000

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Characterization of low-barrier hydrogen bonds 4. Basis set and correlation effects: an ab initio and DFT investigation

Pan, Y.; McAllister, M. A.

Journal of molecular structure. VOL 427, ; 1998, 221-227 -- ELSEVIER (pages 221-227) -- 1998

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Theoretical studies on the BN substituted fullerenes C"7"0"-"2"x(BN)"x (x=1-3)-isoelectronic equivalents of C"7"0

Chen, Z. et al.

Journal of molecular structure. VOL 490; NUMBER 1-3, ; 1999, 61-68 -- ELSEVIER (pages 61-68) -- 1999

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Semi-empirical calculations on the BN substituted fullerenes C"6"0"-"2"x(BN)"x (x=1-3) - isoelectronic equivalents of C"6"0

Chen, Z. et al.

Journal of molecular structure. VOL 466; NUMBER 1-3, ; 1999, 127-135 -- ELSEVIER (pages 127-135) -- 1999

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Theoretical studies on the substituted fullerenes C~6~0~-~x~-~yB~xN~y(x + y = 2)

Chen, Z. et al.

Journal of molecular structure. VOL 452; NUMBER 1/3, ; 1998, 219-225 -- ELSEVIER (pages 219-225) -- 1998

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  1. Tang, A.  (3)
  2. Chen, Z  (3)
  3. Ma, K.  (3)
  4. Zhao, X.  (3)
  5. McAllister, M. A.  (2)
  6. Feng, J.  (2)
  7. Zhao, H.  (2)
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  1. Pan, Y.
  2. Tang, A.
  3. Chen, Z
  4. Ma, K.
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