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Publication search results
found 40 matches
- 2007
- Iannis E. Adamopoulos, Konstantinos Pataridis:
A novel computational method to quantify and analyse osteoclastic bone resorption. J. Comput. Methods Sci. Eng. 7(2): 87-91 (2007) - Andrés Aguado, José M. López:
Melting transition in rotating sodium clusters. J. Comput. Methods Sci. Eng. 7(5-6): 339-353 (2007) - Kestutis Aidas, Kurt V. Mikkelsen, Jacob Kongsted:
Modelling spectroscopic properties of large molecular systems. The combined Density Functional Theory/Molecular Mechanics approach. J. Comput. Methods Sci. Eng. 7(2): 135-158 (2007) - Arup Banerjee, Manoj K. Harbola:
Comparison of van der Waals coefficient C6 of sodium clusters obtained via spherical jellium background model and all-electron ab initio method. J. Comput. Methods Sci. Eng. 7(5-6): 373-381 (2007) - J. Binoy, A. Amal Raj, R. Reghunathan, I. Hubert Joe, V. S. Jayakumar:
Vibrational spectral analysis of 2, 6 Bis (p-methoxy benzylidene) cyclohexanone using density functional theory. J. Comput. Methods Sci. Eng. 7(2): 159-173 (2007) - Patrizia Calaminici, Victor Daniel Dominguez-Soria, Gerald Geudtner, Andreas M. Köster:
Molecular graphs of Lin clusters (n=2-6) from the density and the molecular electrostatic potential. J. Comput. Methods Sci. Eng. 7(5-6): 383-394 (2007) - Benoît Champagne, Maxime Guillaume, Didier Bégué, Claude Pouchan:
Ab initio investigation on the nonlinear optical properties of silicon clusters Sin (n=3-8). J. Comput. Methods Sci. Eng. 7(3-4): 297-304 (2007) - Athanassios Chrissanthopoulos, Evangelos Dalas:
Semiempirical molecular orbital study of glycine solvation and of binding calcium carbonate on glycine polypeptides. J. Comput. Methods Sci. Eng. 7(1): 75-84 (2007) - Peneé A. Clayborne, Naiche O. Jones, Arthur C. Reber, J. Ulises Reveles, Meichun Qian, Shiv N. Khanna:
Superatoms and their assemblies based on alkali and super-alkali motifs. J. Comput. Methods Sci. Eng. 7(5-6): 417-430 (2007) - Grygoriy Dolgonos, Ning Ning, Holger Vach:
Computational approach to the reaction dynamics associated with the formation and crystallization of hydrogenated silicon clusters. J. Comput. Methods Sci. Eng. 7(3-4): 305-317 (2007) - Nazim Dugan, Sakir Erkoç:
Monte Carlo geometry optimization of Sin (n ≤ 71) clusters. J. Comput. Methods Sci. Eng. 7(3-4): 233-240 (2007) - Nazim Dugan, Sakir Erkoç:
Structural properties of lithium clusters: A Monte Carlo application. J. Comput. Methods Sci. Eng. 7(5-6): 409-416 (2007) - Evagelia D. Farsirotou, Vassilios D. Dermissis, Johannes V. Soulis:
Test case for bed morphology computations. J. Comput. Methods Sci. Eng. 7(2): 105-131 (2007) - Marta B. Ferraro:
Prediction of structures and related properties of silicon clusters. J. Comput. Methods Sci. Eng. 7(3-4): 195-217 (2007) - Gregorio Guzmán-Ramírez, Agustín Segovia-Ríos, Jorge Sierra-Arellano, Juvencio Robles:
NaN+ (N ≤12) clusters fragmentation channels: A conceptual DFT approach. J. Comput. Methods Sci. Eng. 7(5-6): 507-519 (2007) - Eugeniya Iskrenova-Tchoukova, Marianna S. Safronova, U. I. Safronova:
High-precision study of Cs polarizabilities. J. Comput. Methods Sci. Eng. 7(5-6): 521-540 (2007) - Auayporn Jiemchooroj, Bo E. Sernelius, Patrick Norman:
Electric dipole polarizabilities and C6 dipole-dipole dispersion coefficients for alkali metal clusters and C60. J. Comput. Methods Sci. Eng. 7(5-6): 475-488 (2007) - Snehadrinarayan Khatua, Debesh Ranjan Roy, Manish Bhattacharjee, Pratim Kumar Chattaraj:
Aromaticity in alkali metal clusters: Role of the metalloligand and the size of the metal ion. J. Comput. Methods Sci. Eng. 7(5-6): 395-408 (2007) - George Lepouras:
Applying clustering algorithms to web-based adaptive virtual environments. J. Comput. Methods Sci. Eng. 7(2): 93-103 (2007) - Bruno Linder:
On dipole moments of overlapping atoms. Application to H in 1 s, 2 s, and 2po states. J. Comput. Methods Sci. Eng. 7(2): 175-181 (2007) - Rita Magri, Elena Degoli, Federico Iori, Eleonora Luppi, Olivia Pulci, Stefano Ossicini, Giovanni Cantele, Fabio Trani, Domenico Ninno:
Role of surface passivation and doping in silicon nanocrystals. J. Comput. Methods Sci. Eng. 7(3-4): 219-232 (2007) - George Maroulis, Patrizia Calaminici:
The challenge of alkali metal clusters from the atomic to the nanoscale. Structure, properties and reactivity. J. Comput. Methods Sci. Eng. 7(5-6): 337-338 (2007) - George Maroulis, Aristides D. Zdetsis:
Silicon clusters: Problems, challenges and perspectives. J. Comput. Methods Sci. Eng. 7(3-4): 183 (2007) - José Ignacio Martínez-Ruiz, A. Castro, J. A. Alonso:
Density functional study of the structural and electronic properties of aluminium-lithium clusters. J. Comput. Methods Sci. Eng. 7(5-6): 355-372 (2007) - P. J. Mohan, Ayan Datta, Swapan K. Pati:
Structure and bonding in M-X-M systems (M=Li, Na and K; X=O, S): Effects of charge-transfer. J. Comput. Methods Sci. Eng. 7(5-6): 489-494 (2007) - Takehito Nakano, Yasuo Nozue:
Orbital degeneracy and magnetic properties of potassium clusters incorporated into nanoporous crystals of zeolite A. J. Comput. Methods Sci. Eng. 7(5-6): 443-462 (2007) - Fedor Y. Naumkin:
Doping-induced structure and property variations in alkali-cluster halides: Li13F & Li13F2. J. Comput. Methods Sci. Eng. 7(5-6): 463-474 (2007) - Sandeep Nigam, S. K. Kulshreshtha, Chiranjib Majumder:
Theoretical study of pure (Sin) and doped silicon (AlSin-1 and PSin-1) clusters (n=2-13) using ab initio molecular orbital theory. J. Comput. Methods Sci. Eng. 7(3-4): 319-335 (2007) - Marco A. Núñez, Ciro Flores, Lorenzo Héctor Juárez:
Interpolation of hydrodynamic velocity data with the continuity equation. J. Comput. Methods Sci. Eng. 7(1): 21-42 (2007) - Nikolaos Orfanoudakis, A. Hatziapostolou, K. Krallis, K. Sardi, Nikolaos W. Vlachakis, St. A. Mavromatis, V. D. Tsoukalas:
Experimental and numerical investigations in the near-burner region of a versatile multi-fuel burner. J. Comput. Methods Sci. Eng. 7(1): 3-19 (2007)
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