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1. Yekeler, H; Ozbakir, D
   Concerning the solvent effect in the tautomerism of uracil, 5-fluorouracil, and thymine by density-functional theory and ab initio calculations
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2. Himmel, HJ; Downs, AJ; Green, JC; Greene, TM
   Compounds featuring a bond between a Group 13 (M) and a Group 15 element (N or P) and with the formulae HmMNHn and HmMPHn: structural aspects and bonding
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3. Schriver-Mazzuoli, L
   Ozone photochemistry in the condensed phase
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4. Rostkowska, H; Nowak, MJ; Lapinski, L; Adamowicz, L
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5. Zink, R; Tekautz, G; Kleewein, A; Hassler, K
   Gauche, ortho, transoid and anti conformations of the tetrasilanes SiMe3SiX2SiX2SiMe3 (X = H, F, Cl, Br, I): A computational and vibrational spectroscopic study
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6. Limberg, C; Downs, AJ; Greene, TM; Wistuba, T
   The photochemistry of [CpMo(CO)(3)(eta(1)-C3H5)] in frozen gas matrices at10K and the behaviour of [CpMo(CO)(2) (eta(3)-C3H5)] isomers in different media
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7. Bitterwolf, TE; Bays, JT; Scallorn, B; Weiss, CA; George, MW; Virrels, IG; Linehan, JC; Yonker, CR
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8. Sander, W; Strehl, A; Winkler, M
   Photochemistry of bis(sulfonyl)diazomethanes
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9. Roser, C; Albers, R; Sander, W
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10. Bucher, G
    Photochemical generation of iminoquinone methides by 1,4-hydrogen migration in derivatives of o-tolylnitrene
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11. Bucher, G
    A laser flash photolysis study on 2-azido-N,N-diethylbenzylamine - The reactivity of iminoquinone methides in solution
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12. Danovich, D; Ogliaro, F; Karni, M; Apeloig, Y; Cooper, DL; Shaik, S
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13. Lee, H; Knobler, CB; Hawthorne, MF
    A hydrogen-bonded [(mercuracarborand-water)(2)- benzene] pi-sandwich complex
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14. Poliakoff, M; Turner, JJ
    The structure of [Fe(CO)(4)] - An important new chapter in a long-running story
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15. Wenk, HH; Balster, A; Sander, W; Hrovat, DA; Borden, WT
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16. Klotzbucher, WE; Petrukhina, MA; Nemukhin, AV; Ermilov, AY; Grigorenko, BL
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17. Stepanenko, T; Lapinski, L; Nowak, MJ; Kwiatkowski, JS; Leszczynski, J
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18. Ha, TK; Gunthard, HH
    Quantum chemistry predicted correlations between geometric isomerism (conformation) of -OH and =NH substituents and typical group frequencies of nucleic acid bases: cytosine
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19. Naumov, P; Jovanovski, G
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20. Tan, XF; Dagdigian, PJ; Alexander, MH
    Electronic spectroscopy and excited state dynamics of the Al-H-2/D-2 complex
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21. Jones, C
    The stabilisation and reactivity of indium trihydride complexes
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22. Kraft, BJ; Zaleski, JM
    Photoinduced diradical formation and decay in uncomplexed and metal-bound benzotriazine systems: mechanistic implications to chemically and biologically relevant photochemistry
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23. Kryachko, ES; Nguyen, MT; Zeegers-Huyskens, T
    Theoretical study of tautomeric forms of uracil. 1. Relative order of stabilities and their relation to proton affinities and deprotonation enthalpies
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24. Cardelino, BH; Moore, CE; Cardelino, CA; Frazier, DO; Bachmann, KJ
    Theoretical study of indium compounds of interest for organometallic chemical vapor deposition
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25. Zhou, MF; Zhang, LN; Shao, LM; Wang, WN; Fan, KN; Qin, QZ
    Formation and characterization of the (eta(2)-H-2)CrO2, (eta(2)-H-2)(2)CrO2 and HCrO(OH) molecules
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26. Tsuji, H; Toshimitsu, A; Tamao, K; Michl, J
    UV, MCD, and LD spectra of a conformationally constrained ortho-tetrasilane: Support for the avoided crossing model of conformational effects on excited states
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27. Everaert, GP; Herrebout, WA; van der Veken, BJ
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28. Michalska, D; Zierkiewicz, W; Bienko, DC; Wojciechowski, W; Zeegers-Huyskens, T
    "Troublesome" vibrations of aromatic molecules in second-order Moller-Plesset and density functional theory calculations: Infrared spectra of phenol and phenol-OD revisited
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29. Alikhani, ME; Krim, L; Manceron, L
    Infrared spectra and structures of nickel and palladium dinitrosyl complexes isolated in solid argon
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30. Saltiel, J; Sears, DF; Turek, AM
    UV spectrum of the high energy conformer of 1,3-butadiene in the gas phase
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31. Ding, YH; Li, ZS; Huang, XR; Sun, CC
    Theoretical study on structures and stability of HCCNN+ isomers
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32. Kryachko, ES; Zeegers-Huyskens, T
    Theoretical study of the CH center dot center dot center dot O interactionin fluoromethanes center dot H2O and chloromethanes center dot H2O complexes
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33. Zhou, MF; Zhang, LN; Qin, QZ
    Chromium oxide complexes with dinitrogen. Formation and characterization of the (NN)(x)CrO and (NN)(x)CrO2 (x=1,2)
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34. Patchkovskii, S; Ziegler, T
    Calculation of the EPR g-tensors of high-spin radicals with density functional theory
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35. Hartmann, M; Wetmore, SD; Radom, L
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36. Wang, JQ; Long, GT; Weitz, E
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37. Timoshkin, AY; Bettinger, HF; Schaefer, HF
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38. Papayannis, DK; Kosmas, AM; Melissas, VSR
    Quantum mechanical studies on the BrO plus ClO reaction
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39. Kryachko, ES; Nguyen, MT; Zeegers-Huyskens, T
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40. Akai, N; Kudoh, S; Takayanagi, M; Nakata, M
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41. Sato, T; Niino, H; Yabe, A
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42. Polikarpov, EV; Granovsky, AA; Nemukhin, AV
    On the potential-energy surface of the Mg+CO2 (C-2 nu) system
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43. Wenk, HH; Sander, W
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44. Wistuba, T; Limberg, C
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45. Stepanenko, T; Lapinski, L; Nowak, MJ; Adamowicz, L
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46. Cacela, C; Fausto, R; Duarte, ML
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47. Bucher, G; Wandel, H; Sander, W
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48. Ihm, H; Scheer, K; Celio, H; White, JM
    Alkoxide synthesis from methyl and tert-butyl nitrite on Cu(100)
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49. Crepin, C; Tramer, A
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50. Crepin, C; de Pujo, P; Bouvier, B; Brenner, V; Millie, P
    A simulation of naphthalene matrix isolation: comparison with experiments
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51. Kryachko, ES; Nguyen, MT; Zeegers-Huyskens, T
    Density functional calculations on protonated and deprotonated thiouracilsand their complexes with water
    CHEMICAL PHYSICS
    
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52. Fisher, L; Holme, T
    MM3 parameterization for the B-N dative bond
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53. Cheng, BM; Liu, CP; Lo, WJ; Lee, YP
    Photodissociation thresholds of OH produced from CH3OH in solid neon and argon
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54. Erkoc, S
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55. Del Bene, JE; Jordan, MJT
    What a difference a decade makes: progress in ab initio studies of the hydrogen bond
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56. Dunne, JP; Fox, S; Tacke, M
    A DFT study on structures of aryl calcium hydride in donor solvents
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57. Shao, LM; Chen, MH; Zhou, MF
    DFT study on the structures, stabilities and vibrational frequencies of the CS2-XO- (X = C, N, O) anions
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58. Vayner, E; Ball, DW
    The energetics of the interaction of nitric oxide with alkali metal atoms
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59. Kryachko, ES; Nguyen, MT
    Thiouracils: Structures, tautomerism, interaction with water, and functioning in RNA and modified DNA base pairs
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60. Schnockel, H; Schnepf, A
    From AIX/GaX monohalide molecules to metalloid aluminum and gallium clusters
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61. Bauerecker, S; Taraschewski, M; Weitkamp, C; Cammenga, HK
    Liquid-helium temperature long-path infrared spectroscopy of molecular clusters and supercooled molecules
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62. Lee, VY; Ichinohe, M; Sekiguchi, A
    Reaction of disilagermirenes with phenylacetylene: from a germasilene -Ge=Si- to a metalladiene of the type -Si=Ge-C=C-
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63. Doyle, KO; Gallagher, ML; Pryce, MT; Rooney, AD
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64. Laxer, A; Major, DT; Gottlieb, HE; Fischer, B
    (N-15(5))-labeled adenine derivatives: Synthesis and studies of tautomerism by N-15 NMR spectroscopy and theoretical calculations
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65. Bjerkeseth, LH; Bakke, JM; Uggerud, E
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66. Fausto, R; Macoas, EMS
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67. Isoniemi, E; Khriachtchev, L; Lundell, J; Rasanen, M
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68. Ramaekers, R; Maes, G; Adamowicz, L; Dkhissi, A
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69. Prince, BJ; Williamson, BE; Reeves, RJ
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70. Tam, S; Fajardo, ME
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71. Fraenk, W; Klapotke, TM
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72. Chang, HC; Jiang, JC; Lin, SH; Weng, NH; Chao, MC
    Evidence for C-H-O interaction of acetone and deuterium oxide probed by high-pressure
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73. Fajardo, ME; Tam, S
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74. Ma, YM; Cui, T; Zou, GT
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75. Lee, HM; Suh, SB; Kim, KS
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76. Tan, XF; Dagdigian, PJ; Williams, J; Alexander, MH
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77. Ford, TA; Glasser, L
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78. Podolyan, Y; Rubin, YV; Leszczynski, J
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79. Himmel, HJ; Downs, AJ; Greene, TM
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80. Bitterwolf, TE
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81. Chao, MC; Weng, NH; Chang, HC; Jiang, JC; Lin, SH
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82. Furutaka, S; Kondo, H; Ikawa, S
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83. Aldridge, S; Downs, AJ
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84. Borget, F; Chiavassa, T; Aycard, JP
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85. Cremer, D; Kraka, E; Crehuet, R; Anglada, J; Grafenstein, J
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86. Filippone, F; Parrinello, M
    Vibrational analysis from linear response theory
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87. Hwang, DY; Mebel, AM
    Theoretical study of the reaction mechanism of ScO with molecular hydrogen
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88. Lo, WJ; Lee, YP
    Ultraviolet absorption spectrum of cyclic CS2 in solid Ar
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89. Nakamura, M; Ito, M
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90. Andrews, L; Liang, BY
    Infrared spectrum of the hyponitrite dianion, N2O22-, isolated and insulated from stabilizing metal cations in solid argon
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91. Russo, N; Toscano, M; Grand, A
    Bond energies and attachments sites of sodium and potassium cations to ONAand RNA nucleic acid bases in the gas phase
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92. Peterson, TH; Golden, JT; Bergman, RG
    Evidence for the intervention of different C-H activating intermediates inthe irradiation of (eta(5)-C5Me5)(PMe3)IrH2 and the reaction of (eta(5)-C5Me5)(PMe3)Ir(H) (Cl) with strong base. Detection and spectroscopic characterization of (eta(5)-C5Me5) (PMe3)Ir(Li)(Cl), an intermediate in the dehydrohalogenation reaction
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93. Cremer, D; Crehuet, R; Anglada, J
    The ozonolysis of acetylene - A quantum chemical investigation
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94. Yang, H; Snee, PT; Kotz, KT; Payne, CK; Harris, CB
    Femtosecond infrared study of the dynamics of solvation and solvent caging
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    H. Yang et al., "Femtosecond infrared study of the dynamics of solvation and solvent caging", J AM CHEM S, 123(18), 2001, pp. 4204-4210
95. Sergeev, GB; Shabatina, TI; Solov'ev, VN; Zagorskii, VV
    Reactions of solid organic compounds with metal species
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96. Gu, J; Tian, A; Li, WK; Wong, NB
    Intramolecular proton transfer in the tautomers of C8 oxidative adenine: ADFT study
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97. Childs, GI; Colley, CS; Dyer, J; Grills, DC; Sun, XZ; Yang, JX; George, MW
    Investigation into the reactivity of M(eta(5)-C5R5)(CO)(2)(alkane) (M = Mnor Re; R = H, Me or Ph; alkane = n-heptane or cyclopentane) and Re(eta(5)-C5H5)(CO)(2)(Xe) in solution at cryogenic and room temperature
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    G.I. Childs et al., "Investigation into the reactivity of M(eta(5)-C5R5)(CO)(2)(alkane) (M = Mnor Re; R = H, Me or Ph; alkane = n-heptane or cyclopentane) and Re(eta(5)-C5H5)(CO)(2)(Xe) in solution at cryogenic and room temperature", J CHEM S DA, (12), 2000, pp. 1901-1906
98. Bencivenni, L; Ramondo, F; Pieretti, A; Sanna, N
    On the hydrogen bonding in uracil: its effect on the vibrational spectrum
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    L. Bencivenni et al., "On the hydrogen bonding in uracil: its effect on the vibrational spectrum", J CHEM S P2, (8), 2000, pp. 1685-1693
99. Aloisio, S; Francisco, JS
    The role of complexes of water and carbonyl containing molecules in the atmosphere
    PHYSICS AND CHEMISTRY OF THE EARTH PART C-SOLAR-TERRESTIAL AND PLANETARY SCIENCE
    
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100. George, WO; Jones, BF; Lewis, R; Price, JM
     Computations of medium strength hydrogen bonds-complexes of mono- and bi-functional carbonyl and nitrile compounds with hydrogen chloride
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