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10 results  for Everything in this catalogue

Refined by: publisher: Elsevier remove journal title: Journal of molecular structure remove
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1
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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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3
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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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4
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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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5
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The crystal structure of an anomalous and tautomeric salt: 2:1 complex of (E)-2(1H)-6-methyl-pyridiniminium hydrogen maleate with maleic acid

Jin, Z. M. Pan, Y. J. Hu, M. L. Zou, J. W.

Journal of molecular structure. VOL 609; NUMBER 1-3, ; 2002, 83-87 -- ELSEVIER (pages 83-87) -- 2002

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6
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Ab initio study on the strain and stability of the possible isomers of C40 and C40H40

Yang, X. Wang, G. Yang, Z. Shang, Z. Cai, Z. Pan, Y. Wu, B.; Zhao, X.

Journal of molecular structure. VOL 579; NUMBER 1-3, ; 2002, 91-99 -- ELSEVIER (pages 91-99) -- 2002

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7
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Relative energies of isomers of C36F2

Yang, Z. Wang, G. Shang, Z. Cai, Z. Pan, Y. Zhao, X.

Journal of molecular structure. VOL 549; NUMBER 3, ; 2001, 243-251 -- ELSEVIER (pages 243-251) -- 2001

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8
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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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9
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Article
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Theoretical studies on the structures and stabilities of various possible isomers of C70O3

Xia, S. Shang, Z. Chen, L. Pan, Y. Zhao, X. Tang, A.

Journal of molecular structure. VOL 531; NUMBER 1-3, ; 2000, 349-358 -- ELSEVIER (pages 349-358) -- 2000

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10
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2:1 Complex of 4-methylphenol with piperazine, structure in the solid and solution state

Jin, Z. Xu, D. Pan, Y. Xu, Y. Chiang, M. Y.

Journal of molecular structure. VOL 559; NUMBER 1-3, ; 2001, 1-5 -- ELSEVIER (pages 1-5) -- 2001

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by this Author/Contributor:

  1. Pan, Y
  2. Chen, Z.
  3. Zhao, X.
  4. Tang, A.
  5. Ma, K.

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