Volume 7, Issue 3-4

Molecular Engineering is now archived and no longer receiving submissions with this publisher. All articles published in the journal during its time with Springer will remain fully searchable through our websites.

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June 1997

13 articles in this issue

Hyperbolic Modeling of Starburst Dendrimers
Isaac M. Xavier Jr.
Antônio de Pádua
J. A. De Miranda-Neto
OriginalPaper Pages: 283 - 291
Modeling Lanthanide Complexes: Towards the Theoretical Design of Light Conversion Molecular Devices
Antônio V. M. De Andrade
Nivan B. Da Costa Jr.
Gilberto F. De Sá
OriginalPaper Pages: 293 - 308
Molecular Dynamics Studies of Light Hydrocarbons Diffusion in Zeolites
João Otávio Millan de Albuquerque Lins
Marco Antonio Chaer Nascimento
OriginalPaper Pages: 309 - 316
The Water Dimer: Post-Hartree-Fock and Density Functional Calculations on the Potential Energy Surface
Oscar N. Ventura
Martina Kieninger
Geerd H. F. Diercksen
OriginalPaper Pages: 317 - 348
A Quantum Chemical Approach to Reactions in Biomolecules
Nathalie Reuter
Michel Loos
Jean-Louis Rivail
OriginalPaper Pages: 349 - 365
Molecular Atomistic Simulations of Clay Swelling in Water Dispersions
Márquez B. Maria Lupe
OriginalPaper Pages: 367 - 383
Rff, Conceptual Development of a Full Periodic Table Force Field for Studying Reaction Potential Surfaces
A.K. Rappé
M.A. Pietsch
W.M. Skiff
OriginalPaper Pages: 385 - 400
Spatial Structure of Dihydropyridines and Similarity of Dihydropyridines with some Amino Acids
Inta Liepina
Mario Blanco
Adam Liwo
OriginalPaper Pages: 401 - 427
Theoretical Studies of the Electrostatic Effect on Carbocations Adsorbed over Zeolitic Sites
Claudio J. A. Mota
Pierre M. Esteves
OriginalPaper Pages: 429 - 438
Monte Carlo Study of Structural and Thermodynamic Properties of Liquid Chloroform Using a Five Site Model
Vania Elisabeth Barlette
Fábio Luiz Laurenti Garbujo
Luiz Carlos Gomide Freitas
OriginalPaper Pages: 439 - 455
Simulation of Solvation Dynamics in H-Bonding Solvents: Dynamics of Solute–Solvent H-Bonds in Methanol–Water Mixtures
Munir S. Skaf
Ivana A. Borin
Branka M. Ladanyi
OriginalPaper Pages: 457 - 472
On the Modeling of Some Anti-inflammatory and Anti-thrombotic Drugs by AM1
C.R. Rodrigues
E.J. Barreiro
J.D. Da Motta Neto
OriginalPaper Pages: 473 - 490
Activated Complex Theory of Barite Scale Control Processes
Mario Blanco
Yongchun Tang
William a. Goddard
OriginalPaper Pages: 491 - 514

Volume 7, Issue 3-4

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