ISSN 0892-7022
Vapour-liquid phase equilibria of simple fluids confined in patterned slit pores
Sudhir K. Singh; Sandip Khan; Subimal Jana; Jayant K. Singh
Pages 350 - 360
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Novel hemagglutinin inhibitors for H1N1 influenza virus screening from TCM database
Tung-Ti Chang; Mao-Feng Sun; Hsin-Yi Chen; Fuu-Jen Tsai; Mark Fisher; Jaung-Geng Lin; Calvin Yu-Chian Chen
Pages 361 - 368
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Theoretical study on the gas and solution phase enthalpies, free energies and equilibrium constants for the isomerisation of [1.1]paracyclophane derivatives as potential molecular switches
Sierra Rayne; Kaya Forest
Pages 369 - 378
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Alanine-based peptides containing polar residues presumably favour α-helical structure entropically
Wankee Kim; Ichiro Yamato; Tadashi Ando
Pages 379 - 385
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Influence of HOCl…O3 and HOCl…HOCl interactions on the stability of O3(HOCl)2 complexes: a theoretical study
Hossein Roohi; Ali-Reza Nowroozi; Ali Ebrahimi; Fazlola Eshghi; Elham Ahmadepour
Pages 386 - 393
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QSPR of antioxidant phenolic compounds using quantum chemical descriptors
Indrani Mitra; Achintya Saha; Kunal Roy
Pages 394 - 413
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Effect of the metal ion and the medium on the electronic structure of anthranilic acid: a modelling study on the Li and the BeH derivatives
Tareq Irshaidat
Pages 414 - 420
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A molecular dynamics study to investigate the local atomic arrangements during martensitic phase transformations
F. A. Celik; A. K. Yildiz; S. Ozgen
Pages 421 - 429
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