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Publisher: Elsevier

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Volume 556, Number 1, 12 December 2000

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N.L. Allinger-Biography
pp. xi-xiv(4)
Authors: Lipkowitz, K.B.; Laane, J.

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A new electrostatic model for molecular mechanics force fields
pp. 1-21(21)
Authors: Mannfors, B.; Palmo, K.; Krimm, S.

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Tetracyclo[3.1.0.0(1.3).0(3.5)]hexane: a new C6H6 isomer with an unusual bonding situation
pp. 23-32(10)
Authors: Diedenhofen, M.; Jonas, V.; Frenking, G.

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A QM/MM model for O(3P) reaction with an alkyl thiolate self-assembled monolayer
pp. 43-57(15)
Authors: Li, G.; Bosio, S.B.M.; Hase, W.L.

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Thermodynamic aspects of DNA mismatches mechanism: mass spectrometry and MNDO/H calculation
pp. 77-82(6)
Authors: Boldeskul, A.I.; Boldeskul, I.E.; Aksyonov, S.A.; Sukhodub, L.F.

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Molecular dynamics simulations of the adsorption of proteins on clay mineral surfaces
pp. 95-103(9)
Authors: Yu, C.H.; Norman, M.A.; Newton, S.Q.; Miller, D.M.; Teppen, B.J.; Schafer, L.

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Conformations of oligosilanes with ethyl and methyl substituents
pp. 105-121(17)
Authors: Fogarty, H.A.; Ottosson, C.; Michl, J.

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Ab initio and RRKM calculations on the dissociation of the propionyl radical
pp. 123-129(7)
Authors: Martnez-Nunez, E.; Vazquez-Rodrguez, S.A.

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Calculated heats of formation of simple phosphinidenes (phosphanylidenes, R-P)
pp. 143-149(7)
Authors: Szieberth, D.; Veszpremi, T.; Nguyen, M.T.

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A study of the conformation of -1,4-linked glucose oligomers, cellobiose to cellohexaose, in solution
pp. 173-177(5)
Authors: Sugiyama, H.; Hisamichi, K.; Usui, T.; Sakai, K.; Ishiyama, J.

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Photochemistry of matrix-isolated cyclopentadienylidene revisited
pp. 179-187(9)
Authors: Maier, G.; Endres, J.

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Structure and conformation of gaseous butyronitrile: C-H... interaction?
pp. 189-196(8)
Authors: Traetteberg, M.; Bakken, P.; Hopf, H.

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Rotational spectral anomalies and conformations of p-n-propyl benzaldehyde
pp. 197-205(9)
Authors: Kelly, J.A.; Bohn, R.K.; True, N.S.

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Vibrational spectra, gas phase structure and conformational properties of perfluorodimethyl trithiocarbonate, (CF3S)2C?S
pp. 217-224(8)
Authors: Hermann, A.; Ulic, S.E.; della Vedova, C.O.; Lieb, M.; Mack, H.; Oberhammer, H.

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The polar bond-polarizable bond interaction in 1-X,2-methoxy naphthalenes. An experimental and theoretical study
pp. 263-273(11)
Authors: Contreras, R.H.; Taurian, O.E.; Ortiz, F.S.; Peralta, J.E.

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Structure, stability and bonding of (BC2N)n, n=2,3: an ab initio study
pp. 275-281(7)
Authors: Kar, T.; Cuma, M.; Scheiner11, S.

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Molecular mechanics (MM3) calculations on phosphonamidate compounds
pp. 283-291(9)
Authors: Sakakibara, K.; Shimazaki, K.; Chen, K.; Lii, J.

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The 2-silaketenyl radical (HCSiO): Ground and first excited electronic states
pp. 293-302(10)
Authors: Yamaguchi, Y.; Brown, S.T.; Petraco, N.D.K.; Schaefer, H.F.

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B3LYP/6-31G*, RHF/6-31G* and MM3 heats of formation of disaccharide analogs
pp. 303-313(11)
Authors: French, A.D.; Kelterer, A.; Johnson, G.P.; Dowd, M.K.

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C-H... interactions involving acetylene: an ab initio MO study
pp. 315-320(6)
Authors: Jemmis, E.D.; Subramanian, G.; Nowek, A.; Gora, R.W.; Sullivan, R.H.; Leszczynski, J.

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