Chemistry Reference
In-Depth Information
Blatov VA, Carlucci L, Ciani G, Proserpio DM (2004) Interpenetrating metal-organic and inorganic
3D networks: a computer-aided systematic investigation. Part I. Analysis of the Cambridge
structural database. CrystEngComm 6:377-395
Blatov VA, Delgado-Friedrichs O, O'Keeffe M, Proserpio DM (2007) Three-periodic nets and
tilings: natural tilings for nets. Acta Crystallogr Sect A: Found Crystallogr 63(5):418-25
Blatov VA, O'Keeffe M, Proserpio DM (2009) Vertex-, face-, point-, Schläfli-, and Delaney-symbols
in nets, polyhedra and tilings: recommended terminology. CrystEngComm 12(1):44-48
Böhme B, Guloy A, Tang Z, Schnelle W, Burkhardt U, Baitinger M, Grin Yu (2007) Oxidation of
M 4 Si 4 (M = Na, K) to clathrates by HCl or H2O. J Am Chem Soc 129:5348-5349
Delgado-Friedrichs O, O'Keeffe M (2005) Crystal nets as graphs: terminology and definitions. J
Solid State Chem 178(8):2480-2485
DFTB (2013) DFTB
1.1 is a DFTB implementation, which is free for noncommercial use.
http://www.dftb-plus.info. Bremen
Diudea MV (2006) Omega polynomial. Carpath J Math 22:43-47
Diudea MV (2010a) Nanomolecules and Nanostructures—Polynomials and Indices, MCM No. 10,
University of Kragujevac
Diudea MV (2010b) Counting polynomials and related indices by edge cutting procedures, MATCH
Commun Math Comput Chem 64:569-590
Diudea MV (2010c) Omega polynomial in all_R[8] lattices. Iran J Math 1: 69-77
Diudea MV (2013) Hyper-graphenes. Int J Chem Model 5: 211-220
Diudea MV, Ilic A (2010) Omega polynomial in crystal-like single-type face/ring networks. Int J
Chem Model 3: 65-71
Diudea MV, Klavžar S (2010) Omega polynomial revisited. Acta Chim Sloven 57:565-570
Diudea MV, Szefler B (2012) Nanotube junctions and the genus of multi-tori. Phys Chem Chem
Phys 14 (22):8111-8115
Diudea MV, Stefu M, John PE, Graovac A (2006) Generalized operations on maps. Croat Chem
Acta 79:355-362
Diudea MV, Cigher S, John PE (2008) Omega and related counting polynomials. MATCH Commun
Math Comput Chem 60:237-250
Diudea MV, Ilic A, Medeleanu M (2011) Hyperdiamonds: a topological view. Iran J Math Chem
2:7-29
Djokovic DŽ (1973) Distance preserving subgraphs of hypercubes. J Combin Theory Ser B 14:
263-267
Elstner M, Porezag D, Jungnickel G, Elsner J, Haugk M, Frauenheim T, Suhai S, Seifert G (1998)
Self-consistent-charge density-functional tight-binding method for simulations of complex
materials properties. Phys Rev B 58:7260-7268
Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone
V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF,
Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida
M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery JA, Peralta JE, Ogliaro
F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN, Kobayashi R, Normand J,
Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam NJ,
Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE,
Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski
VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas Ö, Foresman JB,
Ortiz JV, Cioslowski J, Fox DJ (2009) Gaussian 09 Rev. A.1. Gaussian Inc, Wallingford
Guloy A, Ramlau R, Tang Z, Schnelle W, Baitinger M, Grin Yu (2006) A quest-free germanium
chlatrate. Nature 443:320-323
John PE, Vizitiu AE, Cigher S, Diudea MV (2007) CI index in tubular nanostructures. MATCH
Commun Math Comput Chem 57:479-484
Klavžar S (2008) Some comments on Co graphs and CI index. MATCH Commun Math Comput
Chem 59: 217-222
+
Search WWH ::




Custom Search