Wyniki wyszukiwania dla: P-XYLYLENE

• Molecular dynamics simulation of polymerization of p-xylylene

  Publikacja

  • C. Czaplewski
  • A. Giełdon
  • K. Smalara
  • M. Bobrowski

  - Rok 2012

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• Theoretical Study of Polymerization Mechanism of p-Xylylene Based Polymers

  Publikacja

  • K. Smalara
  • A. Giełdoń
  • M. Bobrowski
  • J. Rybicki
  • C. Czaplewski

  - JOURNAL OF PHYSICAL CHEMISTRY A - Rok 2010

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• The electronic structure of p-xylylene and its reactivity with vinyl molecules

  Publikacja

  • M. Bobrowski
  • P. Skurski
  • S. Freza

  - CHEMICAL PHYSICS - Rok 2011

  The electronic states of p-xylylene molecule were described at the multi-configurational CASSCF/MRMP2 level of theory. The closed-shell singlet state representing the quinoidal p-xylylene molecule was pre-dicted to be the ground electronic state whereas the triplet (benzoidal) and the singlet open-shell states were found to be much higher in energy (by 159 and 423 kJ/mol, respectively, as found at the CASSCF(8,8)/6-31+G(d) level)....

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• Theoretical study of polymerization mechanism of p-xylylene based polymers

  Publikacja

  • K. Smalara
  • Ł. Giełdoń
  • M. Bobrowski
  • J. Rybicki
  • C. Czaplewski

  - JOURNAL OF PHYSICAL CHEMISTRY A - Rok 2010

  Obliczenia kwantowe mechanizmu polimeryzacji parylenów, opartych o cząsteczki p-ksylilenów. Praca zawiera wyniki szczegółowych obliczeń wszystkich etapów polimeryzacji, wnioski dotyczące znalezionych stanów kwantowych i energetyki poszczególnych etapów procesu.

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• Polymerization of chloro-p-xylylenes, quantum-chemical study

  Publikacja

  • C. Czaplewski
  • K. Smalara
  • A. Giełdoń
  • M. Bobrowski

  - JOURNAL OF MOLECULAR MODELING - Rok 2017

  The p-xylylene monomers of parylene N, C and D have similar high polymerization reactivity. For effective copolymerization processes this fact is basically a draw- back and for instance the copolymerization with styrene doesn't go at all (Corley et al. J Pol Sc 13(68):137­156, 1954). Substitution of terminal hydrogen atoms by chlorine atoms reduces reactivity dramatically. 7,7,8,8-tetrachloro-p- xylylene and 2,5,7,7,8,8-hexachloro-p-xylylene...

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• Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid

  Publikacja

  • A. Ostasz
  • R. Łyszczek
  • L. Mazur
  • B. Tarasiuk

  - CRYSTENGCOMM - Rok 2014

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• P and T

  Czasopisma

  ISSN: 1052-1372

• Molecular dynamics simulations of the growth of poly(chloro-para-xylylene) films

  Publikacja

  • A. Gieldon
  • C. Czaplewski
  • K. Smalara
  • M. Bobrowski

  - JOURNAL OF MOLECULAR MODELING - Rok 2011

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• Molecular dynamics simulations of the growth of poly (chloro-para-xylylene) films.

  Publikacja

  • A. Giełdoń
  • C. Czaplewski
  • K. Smalara
  • M. Bobrowski

  - JOURNAL OF MOLECULAR MODELING - Rok 2011

  Parylene C, poly(chloro-para-xylylene) is the most widely used member of the parylene family due to its excellent chemical and physical properties. In this work we analyzed the formation of the parylene C film using molecular mechanics and molecular dynamics methods. A five unit chain is necessary to create a stable hydrophobic cluster and to adhere to a covered surface. Two scenarios were deemed to take place. The obtained results...

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• Hart's E and P

  Czasopisma

  ISSN: 1527-4063