-
2
-
-
0033792272
-
Fatigue mechanism of photochromic 1 2-bis(2,5-dimethyl-3- thienyl)perfluorocyclopentene
-
Higashiguchi, K.; Matsuda, K.; Kobatake, S.; Yamada, T.; Kawai, T.; Irie, M. Fatigue mechanism of photochromic 1,2-bis(2,5-dimethyl-3- thienyl)perfluorocyclopentene. Bull. Chem. Soc. Jpn. 2000, 73 (10), 2389-2394.
-
(2000)
Bull. Chem. Soc. Jpn.
, vol.73
, Issue.10
, pp. 2389-2394
-
-
Higashiguchi, K.1
Matsuda, K.2
Kobatake, S.3
Yamada, T.4
Kawai, T.5
Irie, M.6
-
3
-
-
0033590989
-
Fatigue resistant properties of photochromic dithienylethenes: By-product formation
-
Irie, M.; Lifka, T.; Uchida, K.; Kobatake, S.; Shindo, Y. Fatigue resistant properties of photochromic dithienylethenes: by-product formation. Chem. Commun. 1999, 8, 747-748. (Pubitemid 29184720)
-
(1999)
Chemical Communications
, Issue.8
, pp. 747-748
-
-
Irie, M.1
Lifka, T.2
Uchida, K.3
Kobatake, S.4
Shindo, Y.5
-
4
-
-
71049182396
-
Theoretical study of photochromic compounds part 2: Thermal mechanism for byproduct formation and fatigue resistance of diarylethenes used as data storage materials
-
Patel, P. D.; Mikhailov, I. A.; Belfield, K. D.; Masunov, A. E. Theoretical Study of Photochromic Compounds, Part 2: Thermal Mechanism for Byproduct Formation and Fatigue Resistance of Diarylethenes Used as Data Storage Materials. Int. J. Quantum Chem. 2009, 109, 3711-3722.
-
(2009)
Int. J. Quantum Chem.
, vol.109
, pp. 3711-3722
-
-
Patel, P.D.1
Mikhailov, I.A.2
Belfield, K.D.3
Masunov, A.E.4
-
5
-
-
0000527186
-
Photochromism: Memories and switches - introduction
-
Irie, M. Photochromism: Memories and switches - Introduction. Chem. Rev. 2000, 100 (5), 1683-1683.
-
(2000)
Chem. Rev.
, vol.100
, Issue.5
, pp. 1683-1683
-
-
Irie, M.1
-
6
-
-
14344282909
-
Thermally irreversible photochromic systems - reversible photocyclization of diarylethene derivatives
-
Irie, M.; Mohri, M. Thermally Irreversible Photochromic Systems - Reversible Photocyclization of Diarylethene Derivatives. J. Org. Chem. 1988, 53 (4), 803-808.
-
(1988)
J. Org. Chem.
, vol.53
, Issue.4
, pp. 803-808
-
-
Irie, M.1
Mohri, M.2
-
7
-
-
33644756682
-
Photochromism of diarylethene single crystals and single molecules
-
1 ff
-
Irie, M. Photochromism of diarylethene single crystals and single molecules. Mol. Cryst. Liq. Cryst. 2005, 430, 1 ff.
-
(2005)
Mol. Cryst. Liq. Cryst.
, vol.430
-
-
Irie, M.1
-
8
-
-
17044416520
-
Conformational control of photochromic reactivity in a diarylethene single crystal
-
Kobatake, S.; Matsumoto, Y.; Irie, M. Conformational control of photochromic reactivity in a diarylethene single crystal. Angew. Chem., Int. Ed. 2005, 44 (14), 2148-2151.
-
(2005)
Angew. Chem. Int. Ed.
, vol.44
, Issue.14
, pp. 2148-2151
-
-
Kobatake, S.1
Matsumoto, Y.2
Irie, M.3
-
9
-
-
0034645598
-
Photochromism of 1,2-Bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene in a single-crystalline phase. Conrotatory thermal cycloreversion of the closed-ring isomer
-
DOI 10.1021/ja001996g
-
Kobatake, S.; Shibata, K.; Uchida, K.; Irie, M. Photochromism of 1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene in a singlecrystalline phase. Conrotatory thermal cycloreversion of the closed-ring isomer. J. Am. Chem. Soc. 2000, 122 (49), 12135-12141. (Pubitemid 32062249)
-
(2000)
Journal of the American Chemical Society
, vol.122
, Issue.49
, pp. 12135-12141
-
-
Kobatake, S.1
Shibata, K.2
Uchida, K.3
Irie, M.4
-
10
-
-
0036434069
-
Single-crystalline photochromism of diarylethenes: Reactivity-structure relationship
-
Kobatake, S.; Uchida, K.; Tsuchida, E.; Irie, M. Single-crystalline photochromism of diarylethenes: reactivity-structure relationship. Chem. Commun. 2002, 23, 2804-2805. (Pubitemid 35375689)
-
(2002)
Chemical Communications
, Issue.23
, pp. 2804-2805
-
-
Kobatake, S.1
Uchida, K.2
Tsuchida, E.3
Irie, M.4
-
11
-
-
0033599481
-
Photochromism of 1,2-Bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene in a single crystalline phase
-
DOI 10.1021/ja983717j
-
Kobatake, S.; Yamada, T.; Uchida, K.; Kato, N.; Irie, M. Photochromism of 1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene in a single crystalline phase. J. Am. Chem. Soc. 1999, 121 (11), 2380-2386. (Pubitemid 29153445)
-
(1999)
Journal of the American Chemical Society
, vol.121
, Issue.11
, pp. 2380-2386
-
-
Kobatake, S.1
Yamada, T.2
Uchida, K.3
Kato, N.4
Irie, M.5
-
12
-
-
4644356829
-
Diarylethene as a photo switching unit
-
Matsuda, K.; Irie, M. Diarylethene as a photo switching unit. J. Photochem. Photobiol., C: Photochem. Rev. 2004, 5 (2), 169-182.
-
(2004)
J. Photochem. Photobiol. C: Photochem. Rev.
, vol.5
, Issue.2
, pp. 169-182
-
-
Matsuda, K.1
Irie, M.2
-
13
-
-
33845279612
-
Thermally irreversible photochromic systems - A theoretical-study
-
Nakamura, S.; Irie, M. Thermally Irreversible Photochromic Systems - A Theoretical-Study. J. Org. Chem. 1988, 53 (26), 6136-6138.
-
(1988)
J. Org. Chem.
, vol.53
, Issue.26
, pp. 6136-6138
-
-
Nakamura, S.1
Irie, M.2
-
14
-
-
39749145712
-
Raman spectroscopic study on isomers of photochromic 1 2-bis(2,5-dimethy1-3-thienyl) perfluorocyclopentene in crystal and stability of the closed-ring forms in the open-ring forms
-
Saita, K.; Kobatake, S.; Fukaminato, T.; Nanbu, S.; Irie, M.; Sekiya, H. Raman spectroscopic study on isomers of photochromic 1, 2-bis(2,5-dimethy1-3- thienyl) perfluorocyclopentene in crystal and stability of the closed-ring forms in the open-ring forms. Chem. Phys. Lett. 2008, 454 (1-3), 42-48.
-
(2008)
Chem. Phys. Lett.
, vol.454
, Issue.1-3
, pp. 42-48
-
-
Saita, K.1
Kobatake, S.2
Fukaminato, T.3
Nanbu, S.4
Irie, M.5
Sekiya, H.6
-
15
-
-
0001212816
-
Thermally Irreversible Photochromic Systems. Reversible Photocyclization of 2-(1-Benzothiophen-3-yl)-3-(2 or 3-thienyl)maleimide Derivatives
-
Uchida, K.; Kido, Y.; Yamaguchi, T.; Irie, M. Thermally irreversible photochromic systems. Reversible photocyclization of 2-(1-benzothiophen-3-yl)-3- (2 or 3-thienyl)maleimide derivatives. Bull. Chem. Soc. Jpn. 1998, 71 (5), 1101-1108. (Pubitemid 128499881)
-
(1998)
Bulletin of the Chemical Society of Japan
, vol.71
, Issue.5
, pp. 1101-1108
-
-
Uchida, K.1
Kido, Y.2
Yamaguchi, T.3
Irie, M.4
-
16
-
-
0001304157
-
Thermally irreversible photochromic systems - substituent effect on the absorption wavelength of 11,12-Dicyano-5A,5B-Dihydro-5A,5B-dimethylbenzo(1,2-B- 6,5-B')bis[1]benzo Thiophene
-
Uchida, K.; Nakamura, S.; Irie, M. Thermally Irreversible Photochromic Systems - Substituent Effect on the Absorption Wavelength of 11,12-Dicyano-5A,5B-Dihydro-5A,5B-dimethylbenzo(1,2-B- 6,5-B')bis[1]benzo Thiophene. Bull. Chem. Soc. Jpn. 1992, 65 (2), 430-435.
-
(1992)
Bull. Chem. Soc. Jpn.
, vol.65
, Issue.2
, pp. 430-435
-
-
Uchida, K.1
Nakamura, S.2
Irie, M.3
-
17
-
-
0001491024
-
Thermally irreversible photochromic systems - reversible photocyclization of 1,2-Bis(benzo- [b]thiophen-3-yl)ethene Derivatives
-
Uchida, K.; Nakayama, Y.; Irie, M. Thermally Irreversible Photochromic Systems - Reversible Photocyclization of 1,2-Bis(benzo- [b]thiophen-3-yl)ethene Derivatives. Bull. Chem. Soc. Jpn. 1990, 63 (5), 1311-1315.
-
(1990)
Bull. Chem. Soc. Jpn.
, vol.63
, Issue.5
, pp. 1311-1315
-
-
Uchida, K.1
Nakayama, Y.2
Irie, M.3
-
18
-
-
0036158529
-
Single-crystalline photochromism of diarylethene mixtures
-
DOI 10.1246/bcsj.75.167
-
Yamada, T.; Kobatake, S.; Irie, M. Single-crystalline photochromism of diarylethene mixtures. Bull. Chem. Soc. Jpn. 2002, 75 (1), 167-173. (Pubitemid 34118723)
-
(2002)
Bulletin of the Chemical Society of Japan
, vol.75
, Issue.1
, pp. 167-173
-
-
Yamada, T.1
Kobatake, S.2
Irie, M.3
-
19
-
-
0035823160
-
Crystal structure - Reactivity correlation in single-crystalline photochromism of 1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene
-
DOI 10.1021/jo010117l
-
Yamada, T.; Muto, K.; Kobatake, S.; Irie, M. Crystal structurereactivity correlation in single-crystalline photochromism of 1,2-bis- (2-methyl-5-phenyl- 3-thienyl)perfluorocyclopentene. J. Org. Chem. 2001, 66 (18), 6164-6168. (Pubitemid 32847687)
-
(2001)
Journal of Organic Chemistry
, vol.66
, Issue.18
, pp. 6164-6168
-
-
Yamada, T.1
Muto, K.2
Kobatake, S.3
Irie, M.4
-
20
-
-
36348944563
-
Photochromic properties of 1,2-bis (6-substitute-2-methyl-1-benzofuran-3- yl) ethene derivatives
-
Yamaguchi, T.; Takami, S.; Irie, M. Photochromic properties of 1,2-bis (6-substitute-2-methyl-1-benzofuran-3-yl) ethene derivatives. J. Photochem. Photobiol., A: Chem. 2008, 193 (2-3), 146-152.
-
(2008)
J. Photochem. Photobiol., A: Chem.
, vol.193
, Issue.2-3
, pp. 146-152
-
-
Yamaguchi, T.1
Takami, S.2
Irie, M.3
-
21
-
-
58149310527
-
Photochromic properties of diarylethene derivatives having benzofuran and benzothiophene rings based on regioisomers
-
Yamaguchi, T.; Uchida, K.; Irie, M. Photochromic properties of diarylethene derivatives having benzofuran and benzothiophene rings based on regioisomers. Bull. Chem. Soc. Jpn. 2008, 81 (5), 644-652.
-
(2008)
Bull. Chem. Soc. Jpn.
, vol.81
, Issue.5
, pp. 644-652
-
-
Yamaguchi, T.1
Uchida, K.2
Irie, M.3
-
22
-
-
0034476764
-
MNDOPM3MO studies on the thermal enantiomerization of 10 30,30-trimethyl- 6-nitrospiro[2H-l-benzopyran-2,20-indoline]
-
Abe, Y.; Okada, S.; Horii, T.; Nakao, R.; Irie, M. MNDOPM3MO studies on the thermal enantiomerization of 10,30,30-trimethyl- 6-nitrospiro[2H-l- benzopyran-2,20-indoline]. Mol. Cryst. Liq. Cryst. 2000, 345, 419-424.
-
(2000)
Mol. Cryst. Liq. Cryst.
, vol.345
, pp. 419-424
-
-
Abe, Y.1
Okada, S.2
Horii, T.3
Nakao, R.4
Irie, M.5
-
23
-
-
4644250742
-
Theoretical study on the photochromic cycloreversion reactions of dithienylethenes; on the role of the conical intersections
-
DOI 10.1021/ja035035o
-
Asano, Y.; Murakami, A.; Kobayashi, T.; Goldberg, A.; Guillaumont, D.; Yabushita, S.; Irie, M.; Nakamura, S. Theoretical study on the photochromic cycloreversion reactions of dithienylethenes; on the role of the conical intersections. J. Am. Chem. Soc. 2004, 126 (38), 12112-12120. (Pubitemid 39302629)
-
(2004)
Journal of the American Chemical Society
, vol.126
, Issue.38
, pp. 12112-12120
-
-
Asano, Y.1
Murakami, A.2
Kobayashi, T.3
Goldberg, A.4
Guillaumont, D.5
Yabushita, S.6
Irie, M.7
Nakamura, S.8
-
24
-
-
0037696600
-
Theoretical study on novel quantum yields of dithienylethenes cyclization reactions in crystals
-
Asano, Y.; Murakami, A.; Kobayashi, T.; Kobatake, S.; Irie, M.; Yabushita, S.; Nakamura, S. Theoretical study on novel quantum yields of dithienylethenes cyclization reactions in crystals. J. Mol. Struct.: THEOCHEM 2003, 625, 227-234.
-
(2003)
J. Mol. Struct.: THEOCHEM
, vol.625
, pp. 227-234
-
-
Asano, Y.1
Murakami, A.2
Kobayashi, T.3
Kobatake, S.4
Irie, M.5
Yabushita, S.6
Nakamura, S.7
-
25
-
-
0037044036
-
An ab initio MO study of the photochromic reaction of dithienylethenes
-
DOI 10.1021/jp021060p
-
Guillaumont, D.; Kobayashi, T.; Kanda, K.; Miyasaka, H.; Uchida, K.; Kobatake, S.; Shibata, K.; Nakamura, S.; Irie, M. An ab initio MO study of the photochromic reaction of dithienylethenes. J. Phys. Chem. A 2002, 106 (31), 7222-7227. (Pubitemid 35382611)
-
(2002)
Journal of Physical Chemistry A
, vol.106
, Issue.31
, pp. 7222-7227
-
-
Guillaumont, D.1
Kobayashi, T.2
Kanda, K.3
Miyasaka, H.4
Uchida, K.5
Kobatake, S.6
Shibata, K.7
Nakamura, S.8
Irie, M.9
-
26
-
-
0036498192
-
Theoretical study of an intermediate, a factor determining the quantum yield in photochromism of diarylethene derivatives
-
Uchida, K.; Guillaumont, D.; Tsuchida, E.; Mochizuki, G.; Irie, M.; Murakami, A.; Nakamura, S. Theoretical study of an intermediate, a factor determining the quantum yield in photochromism of diarylethene derivatives. J. Mol. Struct.: THEOCHEM 2002, 579, 115-120.
-
(2002)
J. Mol. Struct.: THEOCHEM
, vol.579
, pp. 115-120
-
-
Uchida, K.1
Guillaumont, D.2
Tsuchida, E.3
Mochizuki, G.4
Irie, M.5
Murakami, A.6
Nakamura, S.7
-
27
-
-
0012405769
-
Ab initio study of 3-furyl fulgide. 1. Molecular structures and relative stabilities of three isomers
-
Yoshioka, Y.; Irie, M. Ab initio study of 3-furyl fulgide. 1. Molecular structures and relative stabilities of three isomers. Electron. J. Theor. Chem. 1996, 1, 183-190.
-
(1996)
Electron. J. Theor. Chem.
, vol.1
, pp. 183-190
-
-
Yoshioka, Y.1
Irie, M.2
-
28
-
-
0012435895
-
Ab initio study of 3-furyl fulgide. 2. Substituent effects on photochemical reactions
-
Yoshioka, Y.; Irie, M. Ab initio study of 3-furyl fulgide. 2. Substituent effects on photochemical reactions. Electron. J. Theor. Chem. 1996, 1, 191-198.
-
(1996)
Electron. J. Theor. Chem.
, vol.1
, pp. 191-198
-
-
Yoshioka, Y.1
Irie, M.2
-
29
-
-
35349009957
-
Light-triggered electrical and optical switching devices
-
Gilat, S. L.; Kawai, S. H.; Lehn, J. M. Light-Triggered Electrical and Optical Switching Devices. J. Chem. Soc., Chem. Commun. 1993, No. 18, 1439-1442.
-
(1993)
J. Chem. Soc. Chem. Commun.
, Issue.18
, pp. 1439-1442
-
-
Gilat, S.L.1
Kawai, S.H.2
Lehn, J.M.3
-
30
-
-
0028705563
-
Light-triggered electrical and-rfaut optical switching devices
-
Gilat, S. L.; Kawai, S. H.; Lehn, J. M. Light-Triggered Electrical and Optical Switching Devices. Mol. Cryst. Liq. Cryst. Sci. Technol., Sect. A: Mol. Cryst. Liq. Cryst. 1994, 246, 323-326.
-
(1994)
Mol. Cryst. Liq. Cryst. Sci. Technol. Sect. A: Mol. Cryst. Liq. Cryst.
, vol.246
, pp. 323-326
-
-
Gilat, S.L.1
Kawai, S.H.2
Lehn, J.M.3
-
31
-
-
84989537270
-
Light-triggered molecular devices - photochemical switching of optical and electrochemical properties in molecular wire type diarylethene species
-
Gilat, S. L.; Kawai, S. H.; Lehn, J. M. Light-Triggered Molecular Devices - Photochemical Switching of Optical and Electrochemical Properties in Molecular Wire Type Diarylethene Species. Chem.-Eur. J. 1995, 1 (5), 275-284.
-
(1995)
Chem.-Eur. J.
, vol.1
, Issue.5
, pp. 275-284
-
-
Gilat, S.L.1
Kawai, S.H.2
Lehn, J.M.3
-
32
-
-
37049070709
-
Dual-mode optical- electrical molecular switching device
-
Kawai, S. H.; Gilat, S. L.; Lehn, J. M. Dual-Mode Optical- Electrical Molecular Switching Device. J. Chem. Soc., Chem. Commun. 1994, 8, 1011-1013.
-
(1994)
J. Chem. Soc. Chem. Commun.
, vol.8
, pp. 1011-1013
-
-
Kawai, S.H.1
Gilat, S.L.2
Lehn, J.M.3
-
33
-
-
84989523797
-
Molecular switching device - bisphenolic diarylethenes with integrated photochromic and electrochromic properties
-
Kawai, S. H.; Gilat, S. L.; Ponsinet, R.; Lehn, J. M.; Dual-Mode, A Molecular Switching Device - Bisphenolic Diarylethenes with Integrated Photochromic and Electrochromic Properties. Chem.- Eur. J. 1995, 1 (5), 285-293.
-
(1995)
Chem.- Eur. J.
, vol.1
, Issue.5
, pp. 285-293
-
-
Kawai, S.H.1
Gilat, S.L.2
Ponsinet, R.3
Lehn, J.M.4
Dual-Mode, A.5
-
34
-
-
33748556592
-
Photonic molecular devices - reversibly photoswitchable fluorophores for nondestructive readout for optical memory
-
Tsivgoulis, G. M.; Lehn, J. M. Photonic Molecular Devices - Reversibly Photoswitchable Fluorophores for Nondestructive Readout for Optical Memory. Angew. Chem., Int. Ed. Engl. 1995, 34 (10), 1119-1122.
-
(1995)
Angew. Chem. Int. Ed. Engl.
, vol.34
, Issue.10
, pp. 1119-1122
-
-
Tsivgoulis, G.M.1
Lehn, J.M.2
-
35
-
-
33947482987
-
Selection rules for concerted cycloadditon reactions
-
Hoffmann, R.; Woodward, R. B. Selection Rules for Concerted Cycloadditon Reactions. J. Am. Chem. Soc. 1965, 87, (9), 2046 ff.
-
(1965)
J. Am. Chem. Soc.
, vol.87
, Issue.9
-
-
Hoffmann, R.1
Woodward, R.B.2
-
36
-
-
0000757231
-
1 cyclohexa-1,3-diene? A CAS-SCF study of the cyclohexadiene/hexatriene photochemical interconversion
-
Celani, P.; Ottani, S.; Olivucci, M.; Bernardi, F.; Robb, M. A. What Happens During The Picosecond Lifetime of 2A(1) Cyclohexa- 1,3-diene - A CAS-SCF Study of The Cyclohexadiene Hexatriene Photochemical Interconversion. J. Am. Chem. Soc. 1994, 116 (22), 10141-10151. (Pubitemid 24981800)
-
(1994)
Journal of the American Chemical Society
, vol.116
, Issue.22
, pp. 10141-10151
-
-
Celani, P.1
Ottani, S.2
Olivucci, M.3
Bernardi, F.4
Robb, M.A.5
-
37
-
-
0343512912
-
2 pathways for the cyclohexadiene/hexatriene photochemical interconversion
-
Celani, P.; Bernardi, F.; Robb, M. A.; Olivucci, M. Do photochemical ring-openings occur in the spectroscopic state? B-1(2) pathways for the cyclohexadiene/hexatriene photochemical interconversion. J. Phys. Chem. 1996, 100 (50), 19364-19366. (Pubitemid 126786971)
-
(1996)
Journal of Physical Chemistry
, vol.100
, Issue.50
, pp. 19364-19366
-
-
Celani, P.1
Bernardi, F.2
Robb, M.A.3
Olivucci, M.4
-
38
-
-
0035837997
-
Reaction path of a sub-200 fs photochemical electrocyclic reaction
-
Garavelli, M.; Page, C. S.; Celani, P.; Olivucci, M.; Schmid, W. E.; Trushin, S. A.; Fuss, W. Reaction path of a sub-200 fs photochemical electrocyclic reaction. J. Phys. Chem. A 2001, 105 (18), 4458-4469.
-
(2001)
J. Phys. Chem. A
, vol.105
, Issue.18
, pp. 4458-4469
-
-
Garavelli, M.1
Page, C.S.2
Celani, P.3
Olivucci, M.4
Schmid, W.E.5
Trushin, S.A.6
Fuss, W.7
-
39
-
-
11144307435
-
A theoretical study of cyclohexadiene/hexatriene photochemical interconversion: Multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays
-
DOI 10.1016/j.cplett.2004.11.111, PII S0009261404018986
-
Tamura, H.; Nanbu, S.; Nakamura, H.; Ishida, T. A theoretical study of cyclohexadiene/hexatriene photochemical interconversion: multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays. Chem. Phys. Lett. 2005, 401 (4-6), 487-491. (Pubitemid 40038293)
-
(2005)
Chemical Physics Letters
, vol.401
, Issue.4-6
, pp. 487-491
-
-
Tamura, H.1
Nanbu, S.2
Nakamura, H.3
Ishida, T.4
-
40
-
-
0032390549
-
Theoretical investigation of 2,3- bis(24,5-trimethyl-3-thienyl)maleic anhydride: A thermally irreversible photochromic system
-
Cho, H. G.; Cheong, B. S. Theoretical investigation of 2,3- bis(2,4,5-trimethyl-3-thienyl)maleic anhydride: A thermally irreversible photochromic system. Bull. Kor. Chem. Soc. 1998, 19 (3), 308-313.
-
(1998)
Bull. Kor. Chem. Soc.
, vol.19
, Issue.3
, pp. 308-313
-
-
Cho, H.G.1
Cheong, B.S.2
-
41
-
-
0033727691
-
Femtosecond reaction dynamics of a photochromic dithienylethene derivative
-
Ern, J.; Bens, A.; Martin, H. D.; Mukamel, S.; Schmid, D.; Tretiak, S.; Tsiper, E.; Kryschi, C. Femtosecond Reaction Dynamics of a Photochromic Dithienylethene Derivative. J. Lumin. 2000, 87-9, 742-744.
-
(2000)
J. Lumin.
, vol.9-87
, pp. 742-744
-
-
Ern, J.1
Bens, A.2
Martin, H.D.3
Mukamel, S.4
Schmid, D.5
Tretiak, S.6
Tsiper, E.7
Kryschi, C.8
-
42
-
-
0035869082
-
Reaction dynamics of a photochromic fluorescing dithienylethene
-
Ern, J.; Bens, A. T.; Martin, H. D.; Mukamel, S.; Tretiak, S.; Tsyganenko, K.; Kuldova, K.; Trommsdorff, H. P.; Kryschi, C. Reaction dynamics of a photochromic fluorescing dithienylethene. J. Phys. Chem. A 2001, 105 (10), 1741-1749.
-
(2001)
J. Phys. Chem. A
, vol.105
, Issue.10
, pp. 1741-1749
-
-
Ern, J.1
Bens, A.T.2
Martin, H.D.3
Mukamel, S.4
Tretiak, S.5
Tsyganenko, K.6
Kuldova, K.7
Trommsdorff, H.P.8
Kryschi, C.9
-
43
-
-
0033467020
-
Reaction dynamics of photochromic dithienylethene derivatives
-
Ern, J.; Bens, A. T.; Martin, H. D.; Mukamel, S.; Schmid, D.; Tretiak, S.; Tsiper, E.; Kryschi, C. Reaction dynamics of photochromic dithienylethene derivatives. Chem. Phys. 1999, 246 (1-3), 115-125.
-
(1999)
Chem. Phys.
, vol.246
, Issue.1-3
, pp. 115-125
-
-
Ern, J.1
Bens, A.T.2
Martin, H.D.3
Mukamel, S.4
Schmid, D.5
Tretiak, S.6
Tsiper, E.7
Kryschi, C.8
-
44
-
-
0000719828
-
Photoswitch and nonlinear optical switch: Theoretical studies on 1,2-bis-(3-thienyl)-ethene derivatives
-
Majumdar, D.; Lee, H. M.; Kim, J.; Kim, K. S.; Mhin, B. J. Photoswitch and nonlinear optical switch: Theoretical studies on 1,2-bis-(3-thienyl)-ethene derivatives. J. Chem. Phys. 1999, 111 (13), 5866-5872. (Pubitemid 129589856)
-
(1999)
Journal of Chemical Physics
, vol.111
, Issue.13
, pp. 5866-5872
-
-
Majumdar, D.1
Lee, H.M.2
Kim, J.3
Kim, K.S.4
Mhin, B.J.5
-
45
-
-
67650878290
-
DFT-based methods in the design of two-photon operated molecular switches
-
Mikhailov, I. A.; Belfield, K. D.; Masunov, A. E. DFT-based Methods in the Design of Two-Photon Operated Molecular Switches. J. Phys. Chem. A 2009, 113, 7080-7089.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 7080-7089
-
-
Mikhailov, I.A.1
Belfield, K.D.2
Masunov, A.E.3
-
46
-
-
25544474582
-
Exchange and correlation in atoms molecules, and solids by spin-density functional formalism
-
Gunnarsson, O.; Lundqvist, B. I. Exchange and Correlation in Atoms, Molecules, and Solids by Spin-Density Functional Formalism. Phys. Rev. B 1976, 13 (10), 4274-4298.
-
(1976)
Phys. Rev. B
, vol.13
, Issue.10
, pp. 4274-4298
-
-
Gunnarsson, O.1
Lundqvist, B.I.2
-
47
-
-
1242346134
-
-
rev. E Gaussian, Inc.: Wallingford, CT
-
Frisch, M. J.; Trucks, G.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian03, rev. E; Gaussian, Inc.: Wallingford, CT, 2003.
-
(2003)
Gaussian03
-
-
Frisch, M.J.1
Trucks, G.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
-
48
-
-
84986439201
-
Optimization of equilibrium geometries and transition structures
-
Schlegel, H. B. Optimization of Equilibrium Geometries and Transition Structures. J. Comput. Chem. 1982, 3, 214-218.
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 214-218
-
-
Schlegel, H.B.1
-
50
-
-
0000189651
-
Density-functional thermochemistry. 3. The role of exact exchange
-
Becke, A. D. Density-Functional Thermochemistry. 3. The Role of Exact Exchange. J. Chem. Phys. 1993, 98 (7), 5648-5652.
-
(1993)
J. Chem. Phys.
, vol.98
, Issue.7
, pp. 5648-5652
-
-
Becke, A.D.1
-
51
-
-
0345491105
-
Development of the colle- salvetti correlation energy formula into a functional of the electron- density
-
Lee, C. T.; Yang, W. T.; Parr, R. G. Development of the Colle- Salvetti Correlation Energy Formula into a Functional of the Electron- Density. Phys. Rev. B 1988, 37 (2), 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, Issue.2
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
52
-
-
33645898818
-
Accurate and simple analytic representation of the electron-gas correlation-energy
-
Perdew, J. P.; Wang, Y. Accurate and Simple Analytic Representation of the Electron-Gas Correlation-Energy. Phys. Rev. B 1992, 45 (23), 13244-13249.
-
(1992)
Phys. Rev. B
, vol.45
, Issue.23
, pp. 13244-13249
-
-
Perdew, J.P.1
Wang, Y.2
-
53
-
-
4444384571
-
Development of density functionals for thermochemical kinetics
-
Boese, A. D.; Martin, J. M. L. Development of density functionals for thermochemical kinetics. J. Chem. Phys. 2004, 121 (8), 3405-3416.
-
(2004)
J. Chem. Phys.
, vol.121
, Issue.8
, pp. 3405-3416
-
-
Boese, A.D.1
Martin, J.M.L.2
-
54
-
-
33646464890
-
Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions
-
Zhao, Y.; Schultz, N. E.; Truhlar, D. G. Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions. J. Chem. Theory Comput. 2006, 2 (2), 364-382.
-
(2006)
J. Chem. Theory Comput.
, vol.2
, Issue.2
, pp. 364-382
-
-
Zhao, Y.1
Schultz, N.E.2
Truhlar, D.G.3
-
55
-
-
0034709392
-
Photochromism of 1,2-bis(2-methyl-5-phenyl-3-thienyl) perfluorocyclopentene in a singlecrystalline phase
-
Irie, M.; Lifka, T.; Kobatake, S.; Kato, N. Photochromism of 1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a singlecrystalline phase. J. Am. Chem. Soc. 2000, 122 (20), 4871-4876.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, Issue.20
, pp. 4871-4876
-
-
Irie, M.1
Lifka, T.2
Kobatake, S.3
Kato, N.4
-
56
-
-
0000228786
-
Thermally irreversible photochromic systems - reversible photocyclization of nonsymmetrical diarylethene derivatives
-
Nakayama, Y.; Hayashi, K.; Irie, M. Thermally Irreversible Photochromic Systems - Reversible Photocyclization of Nonsymmetrical Diarylethene Derivatives. Bull. Chem. Soc. Jpn. 1991, 64 (3), 789-795.
-
(1991)
Bull. Chem. Soc. Jpn.
, vol.64
, Issue.3
, pp. 789-795
-
-
Nakayama, Y.1
Hayashi, K.2
Irie, M.3
-
57
-
-
0000336180
-
Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory
-
Perdew, J. P.; Savin, A.; Burke, K. Escaping The Symmetry Dilemma Through a Pair-Density Interpretation of Spin-Density Functional Theory. Phys. Rev. A 1995, 51 (6), 4531-4541.
-
(1995)
Phys. Rev. A
, vol.51
, Issue.6
, pp. 4531-4541
-
-
Perdew, J.P.1
Savin, A.2
Burke, K.3
-
58
-
-
0010297377
-
Calculation of multiplet energies by hartree-fock-slater method
-
Ziegler, T.; Rauk, A.; Baerends, E. J. Calculation of Multiplet Energies by Hartree-Fock-Slater Method. Theor. Chim. Acta 1977, 43 (3), 261-271.
-
(1977)
Theor. Chim. Acta
, vol.43
, Issue.3
, pp. 261-271
-
-
Ziegler, T.1
Rauk, A.2
Baerends, E.J.3
-
59
-
-
0001475454
-
Toward reliable density functional methods without adjustable parameters: The PBE0 model
-
Adamo, C.; Barone, V. Toward reliable density functional methods without adjustable parameters: The PBE0 model. J. Chem. Phys. 1999, 110 (13), 6158-6170.
-
(1999)
J. Chem. Phys.
, vol.110
, Issue.13
, pp. 6158-6170
-
-
Adamo, C.1
Barone, V.2
-
60
-
-
0038825250
-
Assessment of the OLYP and O3LYP density functionals for first-row transition metals
-
Baker, J.; Pulay, P. Assessment of the OLYP and O3LYP density functionals for first-row transition metals. J. Comput. Chem. 2003, 24 (10), 1184-1191.
-
(2003)
J. Comput. Chem.
, vol.24
, Issue.10
, pp. 1184-1191
-
-
Baker, J.1
Pulay, P.2
-
61
-
-
0001315257
-
First-row transition-metal hydrides: A challenging playground for new theoretical approaches
-
Barone, V.; Adamo, C. First-row transition-metal hydrides: A challenging playground for new theoretical approaches. Int. J. Quantum Chem. 1997, 61 (3), 443-451. (Pubitemid 127572067)
-
(1997)
International Journal of Quantum Chemistry
, vol.61
, Issue.3
, pp. 443-451
-
-
Barone, V.1
Adamo, C.2
-
62
-
-
0030562081
-
Comparison of conventional and hybrid density functional approaches. Cationic hydrides of first-row transition metals as a case study
-
Barone, V.; Adamo, C.; Mele, F. Comparison of conventional and hybrid density functional approaches. Cationic hydrides of first-row transition metals as a case study. Chem. Phys. Lett. 1996, 249 (3-4), 290-296. (Pubitemid 126161329)
-
(1996)
Chemical Physics Letters
, vol.249
, Issue.3-4
, pp. 290-296
-
-
Barone, V.1
Adamo, C.2
Mele, F.3
-
63
-
-
10844287325
-
Broken-symmetry unrestricted hybrid density functional calculations on nickel dimer and nickel hydride
-
DOI 10.1063/1.1798992
-
Diaconu, C. V.; Cho, A. E.; Doll, J. D.; Freeman, D. L. Brokensymmetry unrestricted hybrid density functional calculations on nickel dimer and nickel hydride. J. Chem. Phys. 2004, 121 (20), 10026-10040. (Pubitemid 40005749)
-
(2004)
Journal of Chemical Physics
, vol.121
, Issue.20
, pp. 10026-10040
-
-
Diaconu, C.V.1
Cho, A.E.2
Doll, J.D.3
Freeman, D.L.4
-
64
-
-
57349151129
-
Potential energy curves and electronic structure of 3d transition metal hydrides and their cations
-
Goel, S.; Masunov, A. E. Potential energy curves and electronic structure of 3d transition metal hydrides and their cations. J. Chem. Phys. 2008, 129 (21), 14.
-
(2008)
J. Chem. Phys.
, vol.129
, Issue.21
, pp. 14
-
-
Goel, S.1
Masunov, A.E.2
-
65
-
-
34547284782
-
Assessment of density functional theory methods for the computation of heats of formation and ionization potentials of systems containing third row transition metals
-
DOI 10.1021/jp0705931
-
Riley, K. E.; Merz, K. M. Assessment of density functional theory methods for the computation of heats of formation and ionization potentials of systems containing third row transition metals. J. Phys. Chem. A 2007, 111 (27), 6044-6053. (Pubitemid 47155135)
-
(2007)
Journal of Physical Chemistry A
, vol.111
, Issue.27
, pp. 6044-6053
-
-
Riley, K.E.1
Merz Jr., K.M.2
-
66
-
-
30644460263
-
Density functional for inorganometallic and organometallic chemistry
-
DOI 10.1021/jp0539223
-
Schultz, N. E.; Zhao, Y.; Truhlar, D. G. Density functionals for inorganometallic and organometallic chemistry. J. Phys. Chem. A 2005, 109 (49), 11127-11143. (Pubitemid 43084719)
-
(2005)
Journal of Physical Chemistry A
, vol.109
, Issue.49
, pp. 11127-11143
-
-
Schultz, N.E.1
Zhao, Y.2
Truhlar, D.G.3
-
67
-
-
0001645507
-
Bond-energies for cationic bare metalhydrides of the first transition series - A challenge to density- functional theory
-
Ziegler, T.; Li, J. Bond-Energies for Cationic Bare Metalhydrides of the First Transition Series - A Challenge to Density- Functional Theory. Can. J. Chem., Rev. Can. Chim. 1994, 72 (3), 783-789.
-
(1994)
Can. J. Chem. Rev. Can. Chim.
, vol.72
, Issue.3
, pp. 783-789
-
-
Ziegler, T.1
Li, J.2
|