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p. 40-56
Abhijit Chatterjee , Takashi Iwasaki and Takeo Ebina
Article: Structural And Energetic Changes of Si (100) Surface With Fluorine in Presence of Water – A Density Functional Study
Int. J. Mol. Sci. 2001 , 2 (2), 40-56; doi:10.3390/i2020040
Received: 16 November 2000 / Accepted: 28 January 2001 / Published: 1 May 2001
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p. 57-65
Germán Krenkel , Eduardo A. Castro and Andrey A. Toropov
Article: Improved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph Invariants
Int. J. Mol. Sci. 2001 , 2 (2), 57-65; doi:10.3390/i2020057
Received: 29 November 2000 / Accepted: 20 March 2001 / Published: 7 May 2001
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p. 66-71
Roumen Tsekov
Article: A Quantum Theory of Thermodynamic Relaxation
Int. J. Mol. Sci. 2001 , 2 (2), 66-71; doi:10.3390/i2020066
Received: 19 March 2001 / Accepted: 16 May 2001 / Published: 23 May 2001
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p. 72-88
Francisco Torrens
Article: Characterizing Cavities in Model Inclusion Fullerenes: A Comparative Study
Int. J. Mol. Sci. 2001 , 2 (2), 72-88; doi:10.3390/i2020072
Received: 16 November 2000 / Accepted: 3 April 2001 / Published: 2 June 2001
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p. 89-102
Nayana Vaval , Aparna B. Kumar and Sourav Pal
Article: Extended Coupled Cluster Approach for Molecular Properties: Study of H2O and HF Complexes
Int. J. Mol. Sci. 2001 , 2 (2), 89-102; doi:10.3390/i2020089
Received: 9 April 2001 / Accepted: 15 June 2001 / Published: 16 June 2001
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p. 103-108
H. E. Montgomery
Article: Variational Perturbation Theory of the Confined Hydrogen Atom
Int. J. Mol. Sci. 2001 , 2 (2), 103-108; doi:10.3390/i2020103
Received: 28 March 2001 / Accepted: 15 June 2001 / Published: 16 June 2001
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p. 109-120
Koba Adeishvili
Article: Glycerol-Induced Aggregation of the Oligomeric L-Asparaginase II from E. coli Monitored with ATR-FTIR
Int. J. Mol. Sci. 2001 , 2 (2), 109-120; doi:10.3390/i2020109
Received: 9 April 2001 / Accepted: 15 June 2001 / Published: 28 June 2001
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p. 121-132
Andrés Mercader , Eduardo A. Castro and Andrey A. Toropov
Article: Maximum Topological Distances Based Indices as Molecular Descriptors for QSPR. 4. Modeling the Enthalpy of Formation of Hydrocarbons from Elements
Int. J. Mol. Sci. 2001 , 2 (2), 121-132; doi:10.3390/i2020121
Received: 9 April 2001 / Accepted: 15 June 2001 / Published: 28 June 2001
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