Synthesis and Handling of Single Sheets of a Covalent Monolayer Square Grid Polymer

ACS Symposium Series

Volumn 679, Issue , 1997, Pages 213-220

  Magnera, Thomas F ^a   Pecka, Jaroslav ^a   Vacek, Jaroslav ^a   Michl, Josef ^a  

^a UNIVERSITY OF COLORADO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0346506999     PISSN: 00976156     EISSN: None     Source Type: Book Series    
DOI: 10.1021/bk-1997-0679.ch016     Document Type: Article

References (55)

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49. The minimization was performed with a locally developed molecular mechanics and dynamics program based on the Universal Force Field and charge equilibration scheme proposed in Rappé, A. K., Casewit, C. J., Colwell, K. S., Goddard III, W. A., Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024 and Rappé, A. K., Goddard III, W. A. J. Phys. Chem. 1991, 95, 3358, and incorporating large segments of code obtained from the program Moil 6.2 (Elber, R.; Roitberg, A.; Simmerling, C.; Goldstein, R.; Li, H.; Verkhivker, G.; Keasar, C.; Zhang, J.; Ulitsky, A., Hebrew University, 1994) and from a potential energy program written by Prof. A. Rappé (Colorado State University). The commercial Molgen 3.0 (Baričič, P.; Mackov, M.; Slone, J. E., Bratislava, Slovakia, 1993) program was used for building the initial geometry and the program Moil-View 8.5 (Simmerling, C., University of Illinois at Chicago, 1995) for molecular display.
50. The minimization was performed with a locally developed molecular mechanics and dynamics program based on the Universal Force Field and charge equilibration scheme proposed in Rappé, A. K., Casewit, C. J., Colwell, K. S., Goddard III, W. A., Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024 and Rappé, A. K., Goddard III, W. A. J. Phys. Chem. 1991, 95, 3358, and incorporating large segments of code obtained from the program Moil 6.2 (Elber, R.; Roitberg, A.; Simmerling, C.; Goldstein, R.; Li, H.; Verkhivker, G.; Keasar, C.; Zhang, J.; Ulitsky, A., Hebrew University, 1994) and from a potential energy program written by Prof. A. Rappé (Colorado State University). The commercial Molgen 3.0 (Baričič, P.; Mackov, M.; Slone, J. E., Bratislava, Slovakia, 1993) program was used for building the initial geometry and the program Moil-View 8.5 (Simmerling, C., University of Illinois at Chicago, 1995) for molecular display.
51. The minimization was performed with a locally developed molecular mechanics and dynamics program based on the Universal Force Field and charge equilibration scheme proposed in Rappé, A. K., Casewit, C. J., Colwell, K. S., Goddard III, W. A., Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024 and Rappé, A. K., Goddard III, W. A. J. Phys. Chem. 1991, 95, 3358, and incorporating large segments of code obtained from the program Moil 6.2 (Elber, R.; Roitberg, A.; Simmerling, C.; Goldstein, R.; Li, H.; Verkhivker, G.; Keasar, C.; Zhang, J.; Ulitsky, A., Hebrew University, 1994) and from a potential energy program written by Prof. A. Rappé (Colorado State University). The commercial Molgen 3.0 (Baričič, P.; Mackov, M.; Slone, J. E., Bratislava, Slovakia, 1993) program was used for building the initial geometry and the program Moil-View 8.5 (Simmerling, C., University of Illinois at Chicago, 1995) for molecular display.
52. The minimization was performed with a locally developed molecular mechanics and dynamics program based on the Universal Force Field and charge equilibration scheme proposed in Rappé, A. K., Casewit, C. J., Colwell, K. S., Goddard III, W. A., Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024 and Rappé, A. K., Goddard III, W. A. J. Phys. Chem. 1991, 95, 3358, and incorporating large segments of code obtained from the program Moil 6.2 (Elber, R.; Roitberg, A.; Simmerling, C.; Goldstein, R.; Li, H.; Verkhivker, G.; Keasar, C.; Zhang, J.; Ulitsky, A., Hebrew University, 1994) and from a potential energy program written by Prof. A. Rappé (Colorado State University). The commercial Molgen 3.0 (Baričič, P.; Mackov, M.; Slone, J. E., Bratislava, Slovakia, 1993) program was used for building the initial geometry and the program Moil-View 8.5 (Simmerling, C., University of Illinois at Chicago, 1995) for molecular display.
53. The minimization was performed with a locally developed molecular mechanics and dynamics program based on the Universal Force Field and charge equilibration scheme proposed in Rappé, A. K., Casewit, C. J., Colwell, K. S., Goddard III, W. A., Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024 and Rappé, A. K., Goddard III, W. A. J. Phys. Chem. 1991, 95, 3358, and incorporating large segments of code obtained from the program Moil 6.2 (Elber, R.; Roitberg, A.; Simmerling, C.; Goldstein, R.; Li, H.; Verkhivker, G.; Keasar, C.; Zhang, J.; Ulitsky, A., Hebrew University, 1994) and from a potential energy program written by Prof. A. Rappé (Colorado State University). The commercial Molgen 3.0 (Baričič, P.; Mackov, M.; Slone, J. E., Bratislava, Slovakia, 1993) program was used for building the initial geometry and the program Moil-View 8.5 (Simmerling, C., University of Illinois at Chicago, 1995) for molecular display.
54. The minimization was performed with a locally developed molecular mechanics and dynamics program based on the Universal Force Field and charge equilibration scheme proposed in Rappé, A. K., Casewit, C. J., Colwell, K. S., Goddard III, W. A., Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024 and Rappé, A. K., Goddard III, W. A. J. Phys. Chem. 1991, 95, 3358, and incorporating large segments of code obtained from the program Moil 6.2 (Elber, R.; Roitberg, A.; Simmerling, C.; Goldstein, R.; Li, H.; Verkhivker, G.; Keasar, C.; Zhang, J.; Ulitsky, A., Hebrew University, 1994) and from a potential energy program written by Prof. A. Rappé (Colorado State University). The commercial Molgen 3.0 (Baričič, P.; Mackov, M.; Slone, J. E., Bratislava, Slovakia, 1993) program was used for building the initial geometry and the program Moil-View 8.5 (Simmerling, C., University of Illinois at Chicago, 1995) for molecular display.
55. Fendler, J. H. Membrane-Mimetic Approach to Advanced Materials, Springer-Verlag: Berlin, 1994.