-
1
-
-
3543002904
-
Recent developments in the chemistry of triphenylene-based discotic liquid crystals
-
Kumar S: Recent developments in the chemistry of triphenylene-based discotic liquid crystals. Liq Cryst 2004, 31:1037.
-
(2004)
Liq Cryst
, vol.31
, pp. 1037
-
-
Kumar, S.1
-
2
-
-
33645389719
-
Self-organization of disk-like molecules: Chemical aspects
-
Kumar S: Self-organization of disk-like molecules: chemical aspects. Chem Soc Rev 2006, 35:83.
-
(2006)
Chem Soc Rev
, vol.35
, pp. 83
-
-
Kumar, S.1
-
3
-
-
0000161263
-
X-ray investigation of discotic mesophases of alkylthio substituted triphenylenes
-
Gramsbergen E, Hoving H, de Jeu W, Praefcke K, Kohne B: X-ray investigation of discotic mesophases of alkylthio substituted triphenylenes. Liq Cryst 1986, 1:397.
-
(1986)
Liq Cryst
, vol.1
, pp. 397
-
-
Gramsbergen, E.1
Hoving, H.2
de Jeu, W.3
Praefcke, K.4
Kohne, B.5
-
4
-
-
0034758011
-
-
Maeda Y, Rao DSS, Prasad SK, Chandrasekar S, Kumar S: Phase behaviour of the discotic mesogen 2,3,6,7,10,11-hexahexyl thiotriphenylene (HHTT) under hydrostatic pressure. Liq Cryst 2001, 28:1679.
-
Maeda Y, Rao DSS, Prasad SK, Chandrasekar S, Kumar S: Phase behaviour of the discotic mesogen 2,3,6,7,10,11-hexahexyl thiotriphenylene (HHTT) under hydrostatic pressure. Liq Cryst 2001, 28:1679.
-
-
-
-
5
-
-
10444255530
-
Discotic liquid crystals as electron carrier materials
-
Roussel O, Kestemont G, Tant J, de Halleux V, Aspe RG, Levin J, Remade A, Gearba IR, Ivanov D, Lehmann M, Geerts YH: Discotic liquid crystals as electron carrier materials. Molec Cryst Liq Cryst 2003, 396:35.
-
(2003)
Molec Cryst Liq Cryst
, vol.396
, pp. 35
-
-
Roussel, O.1
Kestemont, G.2
Tant, J.3
de Halleux, V.4
Aspe, R.G.5
Levin, J.6
Remade, A.7
Gearba, I.R.8
Ivanov, D.9
Lehmann, M.10
Geerts, Y.H.11
-
6
-
-
33846126549
-
Self-organization and nanoscale electronic properties of azatriphenylene based architectures: A scanning probe microscopy study
-
Palma M, Levin J, Lemaur V, Liscio A, Palermo V, Cornil J, Geerts Y, nad P, Samori ML: Self-organization and nanoscale electronic properties of azatriphenylene based architectures: a scanning probe microscopy study. Advanced Materials 2006, 18:33 13.
-
(2006)
Advanced Materials
, vol.18
, pp. 33-13
-
-
Palma, M.1
Levin, J.2
Lemaur, V.3
Liscio, A.4
Palermo, V.5
Cornil, J.6
Geerts, Y.7
nad, P.8
Samori, M.L.9
-
7
-
-
0142169435
-
Tailoring discotic mesophases: Columnar order enforced with hydrogen bonds
-
Gearba R, Lehmann M, Levin J, Ivanov D, Koch M, Barbera J, Debije M, Piris J, Geerts Y: Tailoring discotic mesophases: columnar order enforced with hydrogen bonds. Advanced Materials 2003, 15:1614.
-
(2003)
Advanced Materials
, vol.15
, pp. 1614
-
-
Gearba, R.1
Lehmann, M.2
Levin, J.3
Ivanov, D.4
Koch, M.5
Barbera, J.6
Debije, M.7
Piris, J.8
Geerts, Y.9
-
9
-
-
30344445710
-
Progress in computer simulations of liquid crystals
-
Wilson MR: Progress in computer simulations of liquid crystals. Int Rev Phys Chem 2005, 24:421.
-
(2005)
Int Rev Phys Chem
, vol.24
, pp. 421
-
-
Wilson, M.R.1
-
10
-
-
2342425471
-
Can nematic transitions be predicted by atomistic simulations? A computational study of the odd-even effect
-
Berardi R, Muccioli L, Zannoni C: Can nematic transitions be predicted by atomistic simulations? A computational study of the odd-even effect. ChemPhysChem 2004, 5:104.
-
(2004)
ChemPhysChem
, vol.5
, pp. 104
-
-
Berardi, R.1
Muccioli, L.2
Zannoni, C.3
-
11
-
-
34247633092
-
Molecular properties and stacking of I-substituted hexa-alkoxy-triphenylenes
-
DOI 10.1007/s00214-006-0229-7
-
Muccioli L, Berardi R, Orlandi S, Ricci M, Zannoni C: Molecular properties and stacking of I-substituted hexa-alkoxy-triphenylenes. Theor Chem Ace 2007. [DOI 10.1007/s00214-006-0229-7]
-
(2007)
Theor Chem Ace
-
-
Muccioli, L.1
Berardi, R.2
Orlandi, S.3
Ricci, M.4
Zannoni, C.5
-
12
-
-
0035206409
-
Molecular design and computer simulations of novel mesophases
-
Zannoni C: Molecular design and computer simulations of novel mesophases. J Mat Chem 2001, 11:2637.
-
(2001)
J Mat Chem
, vol.11
, pp. 2637
-
-
Zannoni, C.1
-
13
-
-
6744234112
-
Modification of the overlap potential to mimic a linear site-site potential
-
Gay JG, Berne BJ: Modification of the overlap potential to mimic a linear site-site potential. J Chem Phys 1981, 74:3316.
-
(1981)
J Chem Phys
, vol.74
, pp. 3316
-
-
Gay, J.G.1
Berne, B.J.2
-
14
-
-
0030592399
-
Antiphase structures in polar smectics liquid crystals and their molecular origin
-
Berardi R, Orlandi S, Zannoni C: Antiphase structures in polar smectics liquid crystals and their molecular origin. Chem Phys Lett 1996, 261:357.
-
(1996)
Chem Phys Lett
, vol.261
, pp. 357
-
-
Berardi, R.1
Orlandi, S.2
Zannoni, C.3
-
15
-
-
0038683526
-
Ferroelectric nematic and smectic liquid crystals from tapered molecules
-
Berardi R, Ricci M, Zannoni C: Ferroelectric nematic and smectic liquid crystals from tapered molecules, ChemPhysChem 2001, 2:443.
-
(2001)
ChemPhysChem
, vol.2
, pp. 443
-
-
Berardi, R.1
Ricci, M.2
Zannoni, C.3
-
16
-
-
0001466417
-
Computer-simulation studies of anisotropic systems XXIII. The Gay-Berne discogen
-
Emerson APJ, Luckhurst GR, Whatling SG: Computer-simulation studies of anisotropic systems XXIII. The Gay-Berne discogen. Motee Phys 1994, 82:113.
-
(1994)
Motee Phys
, vol.82
, pp. 113
-
-
Emerson, A.P.J.1
Luckhurst, G.R.2
Whatling, S.G.3
-
17
-
-
0000258810
-
Computer simulation studies of anisotropic systems XXVI. Monte Carlo investigations of a GayBerne discotic at constant pressure
-
Bates MA, Luckhurst GR: Computer simulation studies of anisotropic systems XXVI. Monte Carlo investigations of a GayBerne discotic at constant pressure. J Chem Phys 1996, 104:6696.
-
(1996)
J Chem Phys
, vol.104
, pp. 6696
-
-
Bates, M.A.1
Luckhurst, G.R.2
-
18
-
-
33748654006
-
Monte Carlo simulation of discotic Gay-Berne mesogens with axial dipóle
-
Berardi R, Orlandi S, Zannoni C: Monte Carlo simulation of discotic Gay-Berne mesogens with axial dipóle. J Chem Soc Faraday Trans 1997, 93:1493-1496.
-
(1997)
J Chem Soc Faraday Trans
, vol.93
, pp. 1493-1496
-
-
Berardi, R.1
Orlandi, S.2
Zannoni, C.3
-
19
-
-
0000589038
-
Computer simulation studies of anisotropic systems XXIX. Quadrupolar Gay-Berne discs and chemically induced liquid crystal phases
-
Bates MA, Luckhurst GR: Computer simulation studies of anisotropic systems XXIX. Quadrupolar Gay-Berne discs and chemically induced liquid crystal phases. Liq Cryst 1998, 24:229.
-
(1998)
Liq Cryst
, vol.24
, pp. 229
-
-
Bates, M.A.1
Luckhurst, G.R.2
-
20
-
-
4043102876
-
Influence of shape and energy anisotropies on the phase diagram of discotic molecules
-
Caprion D, Bellier-Castella L, Ryckaert JP: Influence of shape and energy anisotropies on the phase diagram of discotic molecules. Phys Rev E 2003, 67(4 Pt I ):041703.
-
(2003)
Phys Rev E
, vol.67
, Issue.4 PART I
, pp. 041703
-
-
Caprion, D.1
Bellier-Castella, L.2
Ryckaert, J.P.3
-
21
-
-
30344445662
-
Columnar and interdigitated structures from discotic mesogens with symmetric arrangment of dipoles. A Monte Carlo study
-
Berardi R, Orlandi S, Zannoni C: Columnar and interdigitated structures from discotic mesogens with symmetric arrangment of dipoles. A Monte Carlo study. Liq Cryst 2005, 32:1427.
-
(2005)
Liq Cryst
, vol.32
, pp. 1427
-
-
Berardi, R.1
Orlandi, S.2
Zannoni, C.3
-
22
-
-
34547232698
-
-
van de Craats AM: Charge transport in self-assembling discotic liquid crystalline materials. In PhD thesis Delft University of Technology; 2000.
-
van de Craats AM: Charge transport in self-assembling discotic liquid crystalline materials. In PhD thesis Delft University of Technology; 2000.
-
-
-
-
23
-
-
2342422640
-
Mimicking electrostatic interactions with a set of effective charges. A genetic algorithm
-
Berardi R, Muccioli L, Orlandi S, Ricci M, Zannoni C: Mimicking electrostatic interactions with a set of effective charges. A genetic algorithm. Chem Phys Lett 2004, 389:373.
-
(2004)
Chem Phys Lett
, vol.389
, pp. 373
-
-
Berardi, R.1
Muccioli, L.2
Orlandi, S.3
Ricci, M.4
Zannoni, C.5
-
24
-
-
0345149220
-
A Monte Carlo study of the chiral columnar organisations of dissymmetric discotic mesogens
-
Berardi R, Cecchini M, Zannoni C: A Monte Carlo study of the chiral columnar organisations of dissymmetric discotic mesogens. J Chem Phys 2003, 119:9933.
-
(2003)
J Chem Phys
, vol.119
, pp. 9933
-
-
Berardi, R.1
Cecchini, M.2
Zannoni, C.3
-
25
-
-
12144288478
-
Charge transport properties in discotic liquid crystals: A quantum-chemical insight into structure-property relationships
-
Lemaur V, da Silva Filho DA, Coropceanu V, Lehmann M, Geerts Y, Piris J, Debije MG, van de Craats AM, Senthilkumar K, Siebbeles LDA, Warman JM, Brédas JL, Cornil J: Charge transport properties in discotic liquid crystals: a quantum-chemical insight into structure-property relationships. J Am Chem Soc 2004, 126:3271.
-
(2004)
J Am Chem Soc
, vol.126
, pp. 3271
-
-
Lemaur, V.1
da Silva Filho, D.A.2
Coropceanu, V.3
Lehmann, M.4
Geerts, Y.5
Piris, J.6
Debije, M.G.7
van de Craats, A.M.8
Senthilkumar, K.9
Siebbeles, L.D.A.10
Warman, J.M.11
Brédas, J.L.12
Cornil, J.13
-
26
-
-
10644231161
-
High pressure investigations on the phase behaviour of discotic liquid crystals
-
Rao DSS, Prasad SK, Bamezai RK, Kumar S: High pressure investigations on the phase behaviour of discotic liquid crystals. Molec Cryst Liq Cryst 2003, 397:143.
-
(2003)
Molec Cryst Liq Cryst
, vol.397
, pp. 143
-
-
Rao, D.S.S.1
Prasad, S.K.2
Bamezai, R.K.3
Kumar, S.4
-
28
-
-
0029011701
-
A second generation force field for the simulation of proteins and nucleic acids
-
Cornell WD, Cieplak P, Bayly Cl, Gould IR, Merz Jr KM, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA: A second generation force field for the simulation of proteins and nucleic acids. J Am Chem Soc 1995, 117:5179.
-
(1995)
J Am Chem Soc
, vol.117
, pp. 5179
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.3
Gould, I.R.4
Merz Jr, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
29
-
-
0029912748
-
Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
-
Jorgensen WL, Maxwell DS, Tirado-Rives J: Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids. J Am Chem Soc 1996, 118:11225-11236.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
30
-
-
0001091226
-
Frustration and helicity in the ordered phases of a discotic compound
-
Heiney PA, Fontes E, Jeu WHD, Riera A, Carroll P, Smith AB: Frustration and helicity in the ordered phases of a discotic compound. J Phys France III 1989, 50:461.
-
(1989)
J Phys France III
, vol.50
, pp. 461
-
-
Heiney, P.A.1
Fontes, E.2
Jeu, W.H.D.3
Riera, A.4
Carroll, P.5
Smith, A.B.6
-
31
-
-
0010262629
-
-
Procacci P, Paci E, Darden TA, Marchi M: ORAC: A molecular dynamics program to simulate complex molecular systems with realistic electrostatic interactions. J Comput Chem 1997, 18:1848-1862.
-
Procacci P, Paci E, Darden TA, Marchi M: ORAC: A molecular dynamics program to simulate complex molecular systems with realistic electrostatic interactions. J Comput Chem 1997, 18:1848-1862.
-
-
-
-
32
-
-
0019707626
-
Polymorphic transitions in single crystals: A new molecular dynamics method
-
Parrinello M, Rahman A: Polymorphic transitions in single crystals: A new molecular dynamics method. J App Phys 1981, 52:7182-7190.
-
(1981)
J App Phys
, vol.52
, pp. 7182-7190
-
-
Parrinello, M.1
Rahman, A.2
-
34
-
-
34547180949
-
-
Software from Alan J. Miller
-
Software from Alan J. Miller [http://users.bigpond.net.au/ amiller]
-
-
-
|