-
1
-
-
0000107506
-
The Piezoelectricity of Poly(vinylidene fluoride)
-
Kawai, H. The Piezoelectricity of Poly(vinylidene fluoride) Jpn. J. Appl. Phys. 1969, 8, 975 - 976
-
(1969)
Jpn. J. Appl. Phys.
, vol.8
, pp. 975-976
-
-
Kawai, H.1
-
2
-
-
0001506123
-
Ferroelectric Polymers
-
Lovinger, A. J. Ferroelectric Polymers Science 1983, 220, 1115 - 1121
-
(1983)
Science
, vol.220
, pp. 1115-1121
-
-
Lovinger, A.J.1
-
3
-
-
84954746992
-
Ferroelectric Behaviour in the Copolymer of Vinylidene Fluoride and Trifluoroethylene
-
Furukawa, T.; Date, M.; Fukada, E.; Tajitsu, Y.; Chiba, A. Ferroelectric Behaviour in the Copolymer of Vinylidene Fluoride and Trifluoroethylene Jpn. J. Appl. Phys. 1980, 19, L109 - 112
-
(1980)
Jpn. J. Appl. Phys.
, vol.19
, pp. 109-112
-
-
Furukawa, T.1
Date, M.2
Fukada, E.3
Tajitsu, Y.4
Chiba, A.5
-
4
-
-
84973084080
-
Ferroelectric Properties of Vinylidene Fluoride Copolymers
-
Furukawa, T. Ferroelectric Properties of Vinylidene Fluoride Copolymers Phase Transitions 1989, 18, 143 - 211
-
(1989)
Phase Transitions
, vol.18
, pp. 143-211
-
-
Furukawa, T.1
-
5
-
-
0041382355
-
Piezoelectricity in Crystallizing Ferroelectric Polymers: Poly(vinylidene fluoride) and its Copolymers (A Review)
-
Kochervinskii, V. V. Piezoelectricity in Crystallizing Ferroelectric Polymers: Poly(vinylidene fluoride) and its Copolymers (A Review) Crystallogr. Rep. 2003, 48, 649 - 675
-
(2003)
Crystallogr. Rep.
, vol.48
, pp. 649-675
-
-
Kochervinskii, V.V.1
-
6
-
-
0005002958
-
Structure and Functional Properties of Ferroelectric Polymers
-
Furukawa, T. Structure and Functional Properties of Ferroelectric Polymers Adv. Colloid Interface Sci. 1997, 71-72, 183 - 208
-
(1997)
Adv. Colloid Interface Sci.
, vol.71-72
, pp. 183-208
-
-
Furukawa, T.1
-
7
-
-
33748710840
-
Review of Some Lesser-known Applications of Piezoelectric and Pyroelectric Polymers
-
Lang, S. B.; Muensit, S. Review of Some Lesser-known Applications of Piezoelectric and Pyroelectric Polymers Appl. Phys. A: Mater. Sci. Process. 2006, 85, 125 - 134
-
(2006)
Appl. Phys. A: Mater. Sci. Process.
, vol.85
, pp. 125-134
-
-
Lang, S.B.1
Muensit, S.2
-
8
-
-
0001620111
-
Crystal Structures of Three Crystalline Forms of Poly(vinylidene fluoride)
-
Hasegawa, R.; Takahashi, Y.; Chatani, Y.; Tadokoro, H. Crystal Structures of Three Crystalline Forms of Poly(vinylidene fluoride) Polym. J. 1972, 3, 600 - 610
-
(1972)
Polym. J.
, vol.3
, pp. 600-610
-
-
Hasegawa, R.1
Takahashi, Y.2
Chatani, Y.3
Tadokoro, H.4
-
9
-
-
0001404685
-
Molecular Conformation and Packing of Poly(vinylidene fluoride). Stability of Three Crystalline Forms and the Effect of High Pressure
-
Hasegawa, R.; Kobayashi, M.; Tadokoro, H. Molecular Conformation and Packing of Poly(vinylidene fluoride). Stability of Three Crystalline Forms and the Effect of High Pressure Polym. J. 1972, 3, 591 - 599
-
(1972)
Polym. J.
, vol.3
, pp. 591-599
-
-
Hasegawa, R.1
Kobayashi, M.2
Tadokoro, H.3
-
10
-
-
0001164538
-
The Crystal Structure of Phase IV of Poly(vinylidene fluoride)
-
Bachmann, M. A.; Gordon, W. L.; Weinhold, S.; Lando, J. B. The Crystal Structure of Phase IV of Poly(vinylidene fluoride) J. Appl. Phys. 1980, 51, 5095 - 5099
-
(1980)
J. Appl. Phys.
, vol.51
, pp. 5095-5099
-
-
Bachmann, M.A.1
Gordon, W.L.2
Weinhold, S.3
Lando, J.B.4
-
11
-
-
0001606875
-
Crystal Structure of Form III of Poly(vinylidene fluoride)
-
Takahashi, Y.; Tadokoro, H. Crystal Structure of Form III of Poly(vinylidene fluoride) Macromolecules 1980, 13, 1317 - 1318
-
(1980)
Macromolecules
, vol.13
, pp. 1317-1318
-
-
Takahashi, Y.1
Tadokoro, H.2
-
12
-
-
0001397704
-
Crystal Structure of Form II of Poly(vinylidene fluoride)
-
Takahashi, Y.; Matsubara, Y.; Tadokoro, H. Crystal Structure of Form II of Poly(vinylidene fluoride) Macromolecules 1983, 16, 1588 - 1592
-
(1983)
Macromolecules
, vol.16
, pp. 1588-1592
-
-
Takahashi, Y.1
Matsubara, Y.2
Tadokoro, H.3
-
13
-
-
0002143025
-
A Reexamination of the Crystal Structure of Phase II of Poly(vinylidene fluoride)
-
Bachmann, M. A.; Lando, J. B. A Reexamination of the Crystal Structure of Phase II of Poly(vinylidene fluoride) Macromolecules 1981, 14, 40 - 46
-
(1981)
Macromolecules
, vol.14
, pp. 40-46
-
-
Bachmann, M.A.1
Lando, J.B.2
-
14
-
-
0008276961
-
The Crystal Structure of the γ Phase of Poly(vinylidene fluoride)
-
Weinhold, S.; Litt, M. H.; Lando, J. B. The Crystal Structure of the γ Phase of Poly(vinylidene fluoride) Macromolecules 1980, 13, 1178 - 1183
-
(1980)
Macromolecules
, vol.13
, pp. 1178-1183
-
-
Weinhold, S.1
Litt, M.H.2
Lando, J.B.3
-
15
-
-
84876676630
-
Revisiting the δ-phase of Poly(vinylidene fluoride) for Solution-Processed Ferroelectric Thin Films
-
Li, M.; Wondergem, H. J.; Spijkman, M. J.; Asadi, K.; Katsouras, I.; Blom, P. W. M.; de Leeuw, D. M. Revisiting the δ-phase of Poly(vinylidene fluoride) for Solution-Processed Ferroelectric Thin Films Nat. Mater. 2013, 12, 433 - 438
-
(2013)
Nat. Mater.
, vol.12
, pp. 433-438
-
-
Li, M.1
Wondergem, H.J.2
Spijkman, M.J.3
Asadi, K.4
Katsouras, I.5
Blom, P.W.M.6
De Leeuw, D.M.7
-
16
-
-
0037021177
-
High Electromechanical Responses in a Poly(vinylidene fluoride-trifluoroethylene-chlorofluoroethylene) Terpolymer
-
Xia, F.; Cheng, Z.; Xu, H.; Li, H.; Zhang, Q.; Kavarnos, G. J.; Ting, R. Y.; Abdel-Sadek, G.; Belfield, K. D. High Electromechanical Responses in a Poly(vinylidene fluoride-trifluoroethylene-chlorofluoroethylene) Terpolymer Adv. Mater. 2002, 14, 1574 - 1577
-
(2002)
Adv. Mater.
, vol.14
, pp. 1574-1577
-
-
Xia, F.1
Cheng, Z.2
Xu, H.3
Li, H.4
Zhang, Q.5
Kavarnos, G.J.6
Ting, R.Y.7
Abdel-Sadek, G.8
Belfield, K.D.9
-
17
-
-
0001486852
-
Molecular Vibrations of Three Crystal Forms of Poly(vinylidene fluoride)
-
Kobayashi, M.; Tashiro, K.; Tadokoro, H. Molecular Vibrations of Three Crystal Forms of Poly(vinylidene fluoride) Macromolecules 1975, 8, 158 - 171
-
(1975)
Macromolecules
, vol.8
, pp. 158-171
-
-
Kobayashi, M.1
Tashiro, K.2
Tadokoro, H.3
-
18
-
-
0000388515
-
Chain Conformation of Polyvinylidene Fluoride as Derived from its Vibrational Spectrum
-
Cortili, G.; Zerbi, G. Chain Conformation of Polyvinylidene Fluoride as Derived from its Vibrational Spectrum Spectrochim. Acta A 1967, 23, 285 - 299
-
(1967)
Spectrochim. Acta A
, vol.23
, pp. 285-299
-
-
Cortili, G.1
Zerbi, G.2
-
19
-
-
3743121291
-
Infrared Spectrum of Poly(vinylidene fluoride)
-
Enomoto, S.; Kawai, Y.; Sugita, M. Infrared Spectrum of Poly(vinylidene fluoride) J. Polym. Sci., Part A-2: Polym. Phys. 1968, 6, 861 - 869
-
(1968)
J. Polym. Sci., Part A-2: Polym. Phys.
, vol.6
, pp. 861-869
-
-
Enomoto, S.1
Kawai, Y.2
Sugita, M.3
-
20
-
-
0038387347
-
Determination of the Crystalline Phases of Poly(vinylidene fluoride) under Different Preparation Conditions Using Differential Scanning Calorimetry and Infrared Spectroscopy
-
Benz, M.; Euler, W. B. Determination of the Crystalline Phases of Poly(vinylidene fluoride) Under Different Preparation Conditions Using Differential Scanning Calorimetry and Infrared Spectroscopy J. Appl. Polym. Sci. 2003, 89, 1093 - 1100
-
(2003)
J. Appl. Polym. Sci.
, vol.89
, pp. 1093-1100
-
-
Benz, M.1
Euler, W.B.2
-
21
-
-
0038559959
-
FTIR Studies of β-phase Crystal Formation in Stretched PVDF Films
-
Salimi, A.; Yousefi, A. A. FTIR Studies of β-phase Crystal Formation in Stretched PVDF Films Polym. Test. 2003, 22, 699 - 704
-
(2003)
Polym. Test.
, vol.22
, pp. 699-704
-
-
Salimi, A.1
Yousefi, A.A.2
-
22
-
-
0343327271
-
Vibrational Analysis of Phase III of Poly(vinylidene fluoride)
-
Bachmann, M. A.; Koenig, J. L. Vibrational Analysis of Phase III of Poly(vinylidene fluoride) J. Chem. Phys. 1981, 74, 5896 - 5910
-
(1981)
J. Chem. Phys.
, vol.74
, pp. 5896-5910
-
-
Bachmann, M.A.1
Koenig, J.L.2
-
23
-
-
0018531797
-
An Infrared Study of Phase III Poly(vinylidene fluoride)
-
Bachmann, M. A.; Gordon, W. L.; Koenig, J. L.; Lando, J. B. An Infrared Study of Phase III Poly(vinylidene fluoride) J. Appl. Phys. 1979, 50, 6106 - 6112
-
(1979)
J. Appl. Phys.
, vol.50
, pp. 6106-6112
-
-
Bachmann, M.A.1
Gordon, W.L.2
Koenig, J.L.3
Lando, J.B.4
-
24
-
-
1542465439
-
Vibrational Spectra and Disorder-Order Transition of Poly(vinylidene fluoride) Form III
-
Tashiro, K.; Kobayashi, M.; Tadokoro, H. Vibrational Spectra and Disorder-Order Transition of Poly(vinylidene fluoride) Form III Macromolecules 1981, 14, 1757 - 1764
-
(1981)
Macromolecules
, vol.14
, pp. 1757-1764
-
-
Tashiro, K.1
Kobayashi, M.2
Tadokoro, H.3
-
25
-
-
29144506278
-
Vibrational Frequency and LO-TO Splitting Determination for Planar-Zigzag β-poly(vinylidene fluoride) Using Density-Functional Theory
-
Ramer, N. J.; Raynor, C. M.; Stiso, K. A. Vibrational Frequency and LO-TO Splitting Determination for Planar-Zigzag β-poly(vinylidene fluoride) Using Density-Functional Theory Polymer 2006, 47, 424 - 428
-
(2006)
Polymer
, vol.47
, pp. 424-428
-
-
Ramer, N.J.1
Raynor, C.M.2
Stiso, K.A.3
-
26
-
-
33748606349
-
Structure and Vibrational Frequency Determination for α-Poly(vinylidene fluoride) Using Density-Functional Theory
-
Ramer, N. J.; Marrone, T.; Stiso, K. A. Structure and Vibrational Frequency Determination for α-Poly(vinylidene fluoride) Using Density-Functional Theory Polymer 2006, 47, 7160 - 7165
-
(2006)
Polymer
, vol.47
, pp. 7160-7165
-
-
Ramer, N.J.1
Marrone, T.2
Stiso, K.A.3
-
27
-
-
77955436265
-
Vibrational Properties of Ferroelectric β-Vinylidene Fluoride Polymers and Oligomers
-
Nakhmanson, S. M.; Korlacki, R.; Travis Johnston, J.; Ducharme, S.; Ge, Z.; Takacs, J. M. Vibrational Properties of Ferroelectric β-Vinylidene Fluoride Polymers and Oligomers Phys. Rev. B 2010, 81 174120
-
(2010)
Phys. Rev. B
, vol.81
, pp. 174120
-
-
Nakhmanson, S.M.1
Korlacki, R.2
Travis Johnston, J.3
Ducharme, S.4
Ge, Z.5
Takacs, J.M.6
-
28
-
-
26844510414
-
Structure and Born Effective Charge Determination for Planar-Zigzag β-poly(vinylidene fluoride) Using Density Functional Theory
-
Ramer, N. J.; Stiso, K. A. Structure and Born Effective Charge Determination for Planar-Zigzag β-poly(vinylidene fluoride) Using Density Functional Theory Polymer 2005, 45, 10431 - 10436
-
(2005)
Polymer
, vol.45
, pp. 10431-10436
-
-
Ramer, N.J.1
Stiso, K.A.2
-
29
-
-
33750089746
-
Structure and Piezoelectric Properties of Poly(vinylidene fluoride) Studied by Density Functional Theory
-
Wang, Z. Y.; Fan, H. Q.; Su, K. H.; Wen, Z. Y. Structure and Piezoelectric Properties of Poly(vinylidene fluoride) Studied by Density Functional Theory Polymer 2006, 47, 7988 - 7996
-
(2006)
Polymer
, vol.47
, pp. 7988-7996
-
-
Wang, Z.Y.1
Fan, H.Q.2
Su, K.H.3
Wen, Z.Y.4
-
30
-
-
77954174227
-
Effect of the Electric Field on the Structure and Piezoelectric Properties of Poly(vinylidene fluoride) Studied by Density Functional Theory
-
Wang, W.; Fan, H.; Ye, Y. Effect of the Electric Field on the Structure and Piezoelectric Properties of Poly(vinylidene fluoride) Studied by Density Functional Theory Polymer 2010, 51, 3575 - 3581
-
(2010)
Polymer
, vol.51
, pp. 3575-3581
-
-
Wang, W.1
Fan, H.2
Ye, Y.3
-
31
-
-
29744439207
-
Collective Polarization Effects in β-polyvinylidene fluoride and its Copolymers with Tri- and Tetrafluoroethylene
-
Nakhmanson, S. M.; Buongiorno Nardelli, M.; Bernholc, J. Collective Polarization Effects in β-polyvinylidene fluoride and its Copolymers with Tri- and Tetrafluoroethylene Phys. Rev. B 2005, 72 115210
-
(2005)
Phys. Rev. B
, vol.72
, pp. 115210
-
-
Nakhmanson, S.M.1
Buongiorno Nardelli, M.2
Bernholc, J.3
-
32
-
-
2342584733
-
Ab Initio Studied of Polarization and Piezoelectricity in Vinylidene Fluoride and BN-Based Polymers
-
Nakhmanson, S. M.; Buongiorno Nardelli, M.; Bernholc, J. Ab Initio Studied of Polarization and Piezoelectricity in Vinylidene Fluoride and BN-Based Polymers Phys. Rev. Lett. 2004, 92 115504
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 115504
-
-
Nakhmanson, S.M.1
Buongiorno Nardelli, M.2
Bernholc, J.3
-
33
-
-
37649029544
-
Simulations of Ferroelectric Polymer Film Polarization: The Role of Dipole Interactions
-
Duan, C. G.; Mei, W. N.; Yin, W. G.; Liu, J.; Hardy, J. R.; Ducharme, S.; Dowben, P. A. Simulations of Ferroelectric Polymer Film Polarization: The Role of Dipole Interactions Phys. Rev. B 2004, 69 235106
-
(2004)
Phys. Rev. B
, vol.69
, pp. 235106
-
-
Duan, C.G.1
Mei, W.N.2
Yin, W.G.3
Liu, J.4
Hardy, J.R.5
Ducharme, S.6
Dowben, P.A.7
-
34
-
-
42749102003
-
Density Functional Theory and Molecular Dynamics Studies of the Energetics and Kinetics of Electroactive Polymers: PVDDF and P(VDF-TrFE)
-
Su, H.; Strachan, A.; Goddard, W. A., III Density Functional Theory and Molecular Dynamics Studies of the Energetics and Kinetics of Electroactive Polymers: PVDDF and P(VDF-TrFE) Phys. Rev. B 2004, 70 064101
-
(2004)
Phys. Rev. B
, vol.70
, pp. 064101
-
-
Su, H.1
Strachan, A.2
Goddard, W.A.3
-
35
-
-
84898044371
-
Solid-state Calculations of Poly(vinylidene fluoride) Using the Hybrid DFT Method: Spontaneous Polarization of Polymorphs
-
Itoh, A.; Takahashi, Y.; Furukawa, T.; Yajima, H. Solid-state Calculations of Poly(vinylidene fluoride) Using the Hybrid DFT Method: Spontaneous Polarization of Polymorphs Polym. J. 2014, 1 - 5
-
(2014)
Polym. J.
, pp. 1-5
-
-
Itoh, A.1
Takahashi, Y.2
Furukawa, T.3
Yajima, H.4
-
36
-
-
84906303039
-
CRYSTAL14: A Program for the Ab Initio Investigation of Crystalline Solids
-
Dovesi, R.; Orlando, R.; Erba, A.; Zicovich-Wilson, C. M.; Civalleri, B.; Casassa, S.; Maschio, M.; Ferrabone, M.; De La Pierre, M.; D'Arco, P. CRYSTAL14: A Program for the Ab Initio Investigation of Crystalline Solids Int. J. Quantum Chem. 2014, 114, 1287 - 1317
-
(2014)
Int. J. Quantum Chem.
, vol.114
, pp. 1287-1317
-
-
Dovesi, R.1
Orlando, R.2
Erba, A.3
Zicovich-Wilson, C.M.4
Civalleri, B.5
Casassa, S.6
Maschio, M.7
Ferrabone, M.8
De La Pierre, M.9
D'Arco, P.10
-
37
-
-
84897476490
-
-
University of Torino: Torino, IT.
-
Dovesi, R.; Saunders, V. R.; Roetti, C.; Orlando, R.; Zicovich-Wilson, C. M.; Pascale, F.; Civalleri, B.; Doll, K.; Harrison, N. M.; Bush, I. J.; D'Arco, P. CRYSTAL14 User's Manual; University of Torino: Torino, IT, 2014.
-
(2014)
CRYSTAL14 User's Manual
-
-
Dovesi, R.1
Saunders, V.R.2
Roetti, C.3
Orlando, R.4
Zicovich-Wilson, C.M.5
Pascale, F.6
Civalleri, B.7
Doll, K.8
Harrison, N.M.9
Bush, I.J.10
D'Arco, P.11
-
38
-
-
84903362578
-
Ab Initio Analytical Raman Intensities for Periodic Systems through a Coupled Perturbed Hartree-Fock/Kohn-Sham Method in an Atomic Orbital Basis. I. Theory
-
Maschio, L.; Kirtman, B.; Rérat, M.; Orlando, R.; Dovesi, R. Ab Initio Analytical Raman Intensities for Periodic Systems through a Coupled Perturbed Hartree-Fock/Kohn-Sham Method in an Atomic Orbital Basis. I. Theory J. Chem. Phys. 2013, 132 164101
-
(2013)
J. Chem. Phys.
, vol.132
, pp. 164101
-
-
Maschio, L.1
Kirtman, B.2
Rérat, M.3
Orlando, R.4
Dovesi, R.5
-
39
-
-
84903368157
-
Ab Initio Analytical Raman Intensities for Periodic Systems through a Coupled Perturbed Hartree-Fock/Kohn-Sham Method in an Atomic Orbital Basis. II. Validation and Comparison with Experiments
-
Maschio, L.; Kirtman, B.; Rérat, M.; Orlando, R.; Dovesi, R. Ab Initio Analytical Raman Intensities for Periodic Systems through a Coupled Perturbed Hartree-Fock/Kohn-Sham Method in an Atomic Orbital Basis. II. Validation and Comparison with Experiments J. Chem. Phys. 2013, 132 164102
-
(2013)
J. Chem. Phys.
, vol.132
, pp. 164102
-
-
Maschio, L.1
Kirtman, B.2
Rérat, M.3
Orlando, R.4
Dovesi, R.5
-
40
-
-
65249168661
-
Normal Vibrational Analysis of the Syndiotactic Polystyrene s(2/1)2 Helix
-
Torres, F. J.; Civalleri, B.; Meyer, A.; Musto, P.; Albunia, A. R.; Rizzo, P.; Guerra, G. Normal Vibrational Analysis of the Syndiotactic Polystyrene s(2/1)2 Helix J. Phys. Chem. B 2009, 113, 5059 - 5071
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 5059-5071
-
-
Torres, F.J.1
Civalleri, B.2
Meyer, A.3
Musto, P.4
Albunia, A.R.5
Rizzo, P.6
Guerra, G.7
-
41
-
-
34347348096
-
Normal Vibrational Analysis of a trans-Planar Syndiotactic Polystyrene Chain
-
Torres, F. J.; Civalleri, B.; Pisani, C.; Musto, P.; Albunia, A. R.; Guerra, G. Normal Vibrational Analysis of a trans-Planar Syndiotactic Polystyrene Chain J. Phys. Chem. B 2007, 111, 6327 - 6335
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 6327-6335
-
-
Torres, F.J.1
Civalleri, B.2
Pisani, C.3
Musto, P.4
Albunia, A.R.5
Guerra, G.6
-
42
-
-
77952411511
-
Ab Initio Periodic Study of the Conformational Behavior of Glycine Helical Homopeptides
-
Ferrari, A. M.; Civalleri, B.; Dovesi, R. Ab Initio Periodic Study of the Conformational Behavior of Glycine Helical Homopeptides J. Comput. Chem. 2010, 31, 1777 - 1784
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 1777-1784
-
-
Ferrari, A.M.1
Civalleri, B.2
Dovesi, R.3
-
43
-
-
84864037510
-
Ab Initio Calculation of the Crystalline Structure and IR Spectrum of Polymers: Nylon 6 Polymorphs
-
Quarti, C.; Milani, A.; Civalleri, B.; Orlando, R.; Castiglioni, C. Ab Initio Calculation of the Crystalline Structure and IR Spectrum of Polymers: Nylon 6 Polymorphs J. Phys. Chem. B 2012, 116, 8299 - 8311
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 8299-8311
-
-
Quarti, C.1
Milani, A.2
Civalleri, B.3
Orlando, R.4
Castiglioni, C.5
-
44
-
-
84875144289
-
IR Spectroscopy of Crystalline Polymers from Ab Initio Calculations: Nylon 6,6
-
Galimberti, D.; Quarti, C.; Milani, A.; Brambilla, L.; Civalleri, B.; Castiglioni, C. IR Spectroscopy of Crystalline Polymers from Ab Initio Calculations: Nylon 6,6 Vib. Spectrosc. 2013, 66, 83 - 92
-
(2013)
Vib. Spectrosc.
, vol.66
, pp. 83-92
-
-
Galimberti, D.1
Quarti, C.2
Milani, A.3
Brambilla, L.4
Civalleri, B.5
Castiglioni, C.6
-
45
-
-
84872534894
-
Ab Initio Calculation of the IR Spectrum of PTFE: Helical Symmetry and Defects
-
Quarti, C.; Milani, A.; Castiglioni, C. Ab Initio Calculation of the IR Spectrum of PTFE: Helical Symmetry and Defects J. Phys. Chem. B 2013, 117, 706 - 718
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 706-718
-
-
Quarti, C.1
Milani, A.2
Castiglioni, C.3
-
46
-
-
84894214853
-
Polymorphism of Poly(butylene terephthalate) Investigated by Means of Periodic Density Functional Theory Calculations
-
Milani, A.; Galimberti, D. Polymorphism of Poly(butylene terephthalate) Investigated by Means of Periodic Density Functional Theory Calculations Macromolecules 2014, 47, 1046 - 1052
-
(2014)
Macromolecules
, vol.47
, pp. 1046-1052
-
-
Milani, A.1
Galimberti, D.2
-
47
-
-
84894539858
-
Crystal Structure and Vibrational Spectra of Poly(trimethylene terephthalate) from Periodic Density Functional Theory Calculations
-
Galimberti, D.; Milani, A. Crystal Structure and Vibrational Spectra of Poly(trimethylene terephthalate) from Periodic Density Functional Theory Calculations J. Phys. Chem. B 2014, 118, 1954 - 1961
-
(2014)
J. Phys. Chem. B
, vol.118
, pp. 1954-1961
-
-
Galimberti, D.1
Milani, A.2
-
48
-
-
84905960973
-
A Revisitation of the Polymorphism of Poly(butylene-2,6-naphthalate) from Periodic First-Principles Calculations
-
Milani, A. A Revisitation of the Polymorphism of Poly(butylene-2,6-naphthalate) from Periodic First-Principles Calculations Polymer 2014, 55, 3729 - 3735
-
(2014)
Polymer
, vol.55
, pp. 3729-3735
-
-
Milani, A.1
-
49
-
-
84924053118
-
Unpolarized and Polarized Raman Spectroscopy of Nylon-6 Polymorphs: A Quantum Chemical Approach
-
Milani, A. Unpolarized and Polarized Raman Spectroscopy of Nylon-6 Polymorphs: A Quantum Chemical Approach J. Phys. Chem. B 2015, 119, 3868 - 3874
-
(2015)
J. Phys. Chem. B
, vol.119
, pp. 3868-3874
-
-
Milani, A.1
-
50
-
-
0000189651
-
Density-Functional Thermochemistry. III. The Role of Exact Exchange
-
Becke, A. Density-Functional Thermochemistry. III. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648 - 5652
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.1
-
51
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
-
Lee, C.; Yang, W.; Parr, R. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785 - 789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.3
-
52
-
-
0001475454
-
Toward Reliable Density Functional Methods without Adjustable Parameters: The PBE0Model
-
Adamo, C.; Barone, V. Toward Reliable Density Functional Methods without Adjustable Parameters: The PBE0Model J. Chem. Phys. 1999, 110, 6158 - 6170
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6158-6170
-
-
Adamo, C.1
Barone, V.2
-
53
-
-
84870846162
-
Consistent Gaussian Basis Set of Triple-Zeta Valence with Polarization Quality for Solid-State Calculations
-
Peintinger, M. F.; Oliveira, D. V.; Bredow, T. Consistent Gaussian Basis Set of Triple-Zeta Valence with Polarization Quality for Solid-State Calculations J. Comput. Chem. 2013, 34, 451 - 459
-
(2013)
J. Comput. Chem.
, vol.34
, pp. 451-459
-
-
Peintinger, M.F.1
Oliveira, D.V.2
Bredow, T.3
-
54
-
-
41649087990
-
B3LYP Augmented with an Empirical Dispersion Term (B3LYP-D∗) as Applied to Molecular Crystals
-
Civalleri, B.; Zicovich-Wilson, C. M.; Valenzano, L.; Ugliengo, P. B3LYP Augmented with an Empirical Dispersion Term (B3LYP-D∗) as Applied to Molecular Crystals CrystEngComm 2008, 10, 405 - 410
-
(2008)
CrystEngComm
, vol.10
, pp. 405-410
-
-
Civalleri, B.1
Zicovich-Wilson, C.M.2
Valenzano, L.3
Ugliengo, P.4
-
55
-
-
4043164887
-
Accurate Description of van der Waals Complexes by Density Functional Theory Including Empirical Corrections
-
Grimme, S. Accurate Description of van der Waals Complexes by Density Functional Theory Including Empirical Corrections J. Comput. Chem. 2004, 25, 1463 - 1473
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1463-1473
-
-
Grimme, S.1
-
56
-
-
33750559983
-
Semiempirical GGA-type Density Functional Constructed with a Long-Range Dispersion Correction
-
Grimme, S. Semiempirical GGA-type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787 - 1799
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 1787-1799
-
-
Grimme, S.1
-
57
-
-
36649020243
-
An Evaluation of Harmonic Vibrational Frequency Scale Factors
-
Merrick, J. P.; Moran, D.; Radom, L. An Evaluation of Harmonic Vibrational Frequency Scale Factors J. Phys. Chem. A 2007, 111, 11683 - 11700
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 11683-11700
-
-
Merrick, J.P.1
Moran, D.2
Radom, L.3
-
58
-
-
0024622253
-
Spectroscopic Analysis of Electric Field Induced Structural Changes in Vinylidene Fluoride/Trifluoroethylene Copolymers
-
Reynolds, N. M.; Kim, K. J.; Chang, C.; Hsu, S. L. Spectroscopic Analysis of Electric Field Induced Structural Changes in Vinylidene Fluoride/Trifluoroethylene Copolymers Macromolecules 1989, 22, 1092 - 1100
-
(1989)
Macromolecules
, vol.22
, pp. 1092-1100
-
-
Reynolds, N.M.1
Kim, K.J.2
Chang, C.3
Hsu, S.L.4
-
59
-
-
56749131410
-
γ→β Phase Transformation Induced in Poly(vinylidene fluoride) by Stretching
-
Imamura, R.; Silva, A. B.; Gregorio, R. γ→β Phase Transformation Induced in Poly(vinylidene fluoride) by Stretching J. Appl. Polym. Sci. 2008, 110, 3242 - 3246
-
(2008)
J. Appl. Polym. Sci.
, vol.110
, pp. 3242-3246
-
-
Imamura, R.1
Silva, A.B.2
Gregorio, R.3
-
63
-
-
33645797157
-
Determination of the α, β and γ Crystaline Phases of Poly(vinylidene fluoride) Films Prepared at Different Conditions
-
Gregorio, R., Jr. Determination of the α, β and γ Crystaline Phases of Poly(vinylidene fluoride) Films Prepared at Different Conditions J. Appl. Polym. Sci. 2006, 100, 3272 - 3279
-
(2006)
J. Appl. Polym. Sci.
, vol.100
, pp. 3272-3279
-
-
Gregorio, R.1
-
64
-
-
77954834518
-
Hydrogen Bonding Effects in Perfluorinated Polyamides: An Investigation Based on Infrared Spectroscopy and Density Functional Theory Calculations
-
Milani, A.; Castiglioni, C.; Di Dedda, E.; Radice, S.; Canil, G.; Di Meo, A.; Picozzi, R.; Tonelli, C. Hydrogen Bonding Effects in Perfluorinated Polyamides: An Investigation Based on Infrared Spectroscopy and Density Functional Theory Calculations Polymer 2010, 51, 2597 - 2610
-
(2010)
Polymer
, vol.51
, pp. 2597-2610
-
-
Milani, A.1
Castiglioni, C.2
Di Dedda, E.3
Radice, S.4
Canil, G.5
Di Meo, A.6
Picozzi, R.7
Tonelli, C.8
-
65
-
-
40849111260
-
Spectroscopic Studies and First-Principles Modelling of 2,2,4-trifluoro-5-trifluoromethoxy-1,3-dioxole (TTD) and TTD-TFE Copolymers (Hyflon® AD)
-
Milani, A.; Tommasini, M.; Castiglioni, C.; Zerbi, G.; Radice, S.; Canil, G.; Toniolo, P.; Triulzi, F.; Colaianna, P. Spectroscopic Studies and First-Principles Modelling of 2,2,4-trifluoro-5-trifluoromethoxy-1,3-dioxole (TTD) and TTD-TFE Copolymers (Hyflon® AD) Polymer 2008, 49, 1812 - 1822
-
(2008)
Polymer
, vol.49
, pp. 1812-1822
-
-
Milani, A.1
Tommasini, M.2
Castiglioni, C.3
Zerbi, G.4
Radice, S.5
Canil, G.6
Toniolo, P.7
Triulzi, F.8
Colaianna, P.9
-
66
-
-
77952490502
-
FT-IR Spectroscopy and DFT Calculations on Fluorinated Macromer Diols: IR Intensity and Association Properties
-
Radice, S.; Di Dedda, E.; Tonelli, C.; Della Pergola, R.; Milani, A.; Castiglioni, C. FT-IR Spectroscopy and DFT Calculations on Fluorinated Macromer Diols: IR Intensity and Association Properties J. Phys. Chem. B 2010, 114, 6332 - 6336
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 6332-6336
-
-
Radice, S.1
Di Dedda, E.2
Tonelli, C.3
Della Pergola, R.4
Milani, A.5
Castiglioni, C.6
-
67
-
-
84855820817
-
Intramolecular and Intermolecular OH···O and OH···F Interactions in Perfluoropolyethers with Polar End Groups: IR Spectroscopy and First-Principles Calculations
-
Milani, A.; Zanetti, J.; Castiglioni, C.; Di Dedda, E.; Radice, S.; Canil, G.; Tonelli, C. Intramolecular and Intermolecular OH···O and OH···F Interactions in Perfluoropolyethers with Polar End Groups: IR Spectroscopy and First-Principles Calculations Eur. Polym. J. 2012, 48, 391 - 403
-
(2012)
Eur. Polym. J.
, vol.48
, pp. 391-403
-
-
Milani, A.1
Zanetti, J.2
Castiglioni, C.3
Di Dedda, E.4
Radice, S.5
Canil, G.6
Tonelli, C.7
|