@article { ISI:000234827500083,
	title = {Molecular dynamics simulations of H2O with sites of Cu-I-FAU and Cu-II-FAU},
	journal = {Studies in surface science and catalysis },
	volume = {158},
	number = {A-B},
	year = {2005},
	note = {3rd Conference of the Federation-of-European-Zeolite-Association, Prague, CZECH REPUBLIC, AUG 23-29, 2005},
	month = {OCT},
	pages = {655-662},
	publisher = {Elsevier Science},
	type = {Article, Proceedings Paper},
	address = {Prague, Czech Republic},
	abstract = {<p>A Born Oppenheimer molecular dynamic (BOMD) approach was chosen to study the interaction of water molecules with Cu-FAU models. We have compared the reactivity of Cu-I and Cu-II with the zeolite and compared the results to those calculated for Na. This Study shows a decrease of the coordination with time for Cu-I whereas there is not a significant change for Cu-II. BOMD shows also that, in the presence of water, Na+ may lead to easier cation exchange than for transition metal cations.</p>},
	isbn = {0-444-52082-1},
	issn = {0167-2991},
	doi = {10.1016/S0167-2991(05)80397-0},
	author = {Berthomieu, D. and Krishnamurty, S. and Heine, Thomas and Goursot, A.},
	editor = {Cejka, J. and Zilkova, N. and Nachtigall, P.}
}
@article { ISI:000317548400026,
	title = {Mechanochemical synthesis of chemically stable isoreticular covalent organic frameworks},
	journal = {Journal of the American Chemical Society},
	volume = {135},
	number = {14},
	year = {2013},
	month = {APR},
	pages = {5328-5331},
	publisher = {AMER CHEMICAL SOC},
	address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA},
	abstract = {<p>Three thermally and chemically stable isoreticular covalent organic frameworks (COFs) were synthesized via room-temperature solvent-free mechanochemical grinding. These COFs were successfully compared with their solvothermally synthesized counterparts in all aspects. These solvent-free mechanochemically synthesized COFs have moderate crystallinity with remarkable stability in boiling water, acid (9 N HCl), and base [TpBD (MC) in 3 N NaOH and TpPa-2 (MC) in 9 N NaOH]. Exfoliation of COF layers was simultaneously observed with COF formation during mechanochemical synthesis. The structures thus obtained seemed to have a graphene-like layered morphology (exfoliated layers), unlike the parent COFs synthesized solvothermally.</p>},
	issn = {0002-7863},
	doi = {10.1021/ja4017842},
	author = {Biswal, Bishnu P. and Chandra, Suman and Kandambeth, Sharath and Lukose, Binit and Heine, Thomas and Banerjeet, Rahul}
}
