Výsledky vyhľadávania
Názov Calculations of n→π* Transition Energies Podnázov comparisons between TD-DFT, ADC, CC, CASPT2, and BSE/GW descriptions Aut.údaje Cloé Azarias ... [et al.] Autor Azarias Cloe (20%)
Spoluautori Habert Chloé (16%)
Budzák Šimon 1982- (16%) UMBFP08 - Katedra chémie
Blase Xavier (16%)
Duchemin Ivan (16%)
Jacquemin Denis (16%)
Zdroj.dok. The Journal of Physical Chemistry A. Vol. 121, no. 32 (2017), pp. 6122-6134. - Washington : The American Chemical Society, 2017 Kľúč.slová transition energies prechodové energie TDDFT BSE/GW Jazyk dok. angličtina Krajina Spojené štáty Anotácia Using a large panel of theoretical approaches, namely, CC2, CCSD, CCSDR(3), CC3, ADC(2), ADC(3), CASPT2, time-dependent density functional theory (TD-DFT), and BSE/evGW, the two latter combined with different exchange-correlation functionals, we investigate the lowest singlet transition in 23 n ->pi* compounds based on the nitroso, thiocarbonyl, carbonyl, and diazo chromophores. First, for 16 small derivatives we compare the transition energies provided by the different wave function approaches to define theoretical best estimates. For this set, it surprisingly turned out that ADC(2) offers a better match with CC3 than ADC(3). Next, we use 10 functionals belonging to the "LYP" and "M06" families and compare the TD-DFT and the BSE/evGW descriptions. The BSE/evGW results are less sensitive than their TD-DFT counterparts to the selected functional, especially in the M06 series. Nevertheless, BSE/evGW delivers larger errors than TD-CAM-B3LYP, which provides extremely accurate results in th Kategória publikačnej činnosti ADC Číslo archívnej kópie 41298 Kategória ohlasu ZIAEI, Vafa - BREDOW, Thomas. Simple many-body based screening mixing ansatz for improvement of GW/Bethe-Salpeter equation excitation energies of molecular systems. In Physical review B. ISSN 2469-9950, 2017, vol. 96, no. 19.
GUI, Xin - HOLZER, Christof - KLOPPER, Wim. Accuracy assessment of GW starting points for calculating molecular excitation energies using the bethe-salpeter formalism. In Journal of chemical theory and computation. ISSN 1549-9618, 2018, vol. 14, no. 4, pp. 2127-2136.
HOLZER, Christof - KLOPPER, Wim. Communication : a hybrid Bethe-Salpeter/time-dependent density-functional-theory approach for excitation energies. In Journal of chemical physics. ISSN 0021-9606, 2018, vol. 149, no. 10, pp. [1-5].
ZIAEI, Vafa - BREDOW, Thomas. Screening mixing GW/Bethe-Salpeter approach for triplet states of organic molecules. In Journal of physics : condensed matter. ISSN 0953-8984, 2018, vol. 30, no. 39.
PATTERSON, C. H. Photoabsorption spectra of small Na clusters : TDHF and BSE versus CI and experiment. In Physical review materials. ISSN 2475-9953, 2019, vol. 3, no. 4, pp. 1-14.
ZHAO, Luning - NEUSCAMMAN, Eric. Variational excitations in real solids : optical gaps and insights into many-body perturbation theory. In Physical review letters. ISSN 0031-9007, 2019, vol. 123, no. 3, pp. 1-6.
KEMPFER-ROBERTSON, Emily M. - PIKE, Thomas Dane - THOMPSON, Lee M. Difference projection-after-variation double-hybrid density functional theory applied to the calculation of vertical excitation energies. In Journal of chemical physics. ISSN 0021-9606, 2020, vol. 153, no. 7.
ZULUAGA, Camilo - SPATA, Vincent A. - MATSIKA, Spiridoula. Benchmarking quantum mechanical methods for the description of charge-transfer states in pi-stacked nucleobases. In Journal of chemical theory and computation. ISSN 1549-9618, 2021, vol. 17, no. 1, pp. 376-387.
RYBCZYNSKI, Patryk - KACZMAREK-KEDZIERA, Anna. BODIPY dimers : structure, interaction, and absorption spectrum. In Structural chemistry. ISSN 1040-0400, 2021, vol. 32, no. 3, pp. 953-965.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika 
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Názov Tuning ESIPT fluorophores into dual emitters Aut.údaje Cloé Azarias ... [et al.] Autor Azarias Cloe (20%)
Spoluautori Budzák Šimon 1982- (20%) UMBFP08 - Katedra chémie
Laurent Adéle D. (20%)
Ulrich Gilles (20%)
Jacquemin Denis (20%)
Zdroj.dok. Chemical Science. Vol. 7, no. 6 (2016), pp. 3763-3774. - Cambridge : Royal Society of Chemistry, 2016 Kľúč.slová ESIPT fluorophores UV/vis and fluorescence spectroscopy TD-DFT ESIPT fluorofory fluorescencia Jazyk dok. angličtina Krajina Veľká Británia Systematika 54 Kategória publikačnej činnosti ADC Číslo archívnej kópie 37294 Kategória ohlasu HUANG, Quan - GUO, Qiang - LAN, Jingbo - YOU, Jingsong. Tuning the dual emission of keto/enol forms of excited-state intramolecular proton transfer (ESIPT) emitters via intramolecular charge transfer (ICT). In Dyes and pigments. ISSN 0143-7208, 2021, vol. 193, art. no. 109497, pp. 1-10.
DING, Sha - XU, Aixiang - SUN, Aokui - XIA, Yong - LIU, Yuejun. Substituent effect on ESIPT and hydrogen bond mechanism of N-(8-quinolyl) salicylaldimine : a detailed theoretical exploration. In Spectrochimica acta. Part A : molecular and biomolecular spectroscopy. ISSN 1386-1425, 2021, vol. 245, art. no. 118937, pp. 1-7.
EBINA, Masanori - KONDO, Yusuke - IWASA, Takeshi - TAKETSUGU, Tetsuya. Low-lying excited states of hqxcH and Zn-hqxc complex : toward understanding intramolecular proton transfer emission. In Inorganic chemistry. ISSN 0020-1669, 2019, vol. 58, no. 7, pp. 4686-4698.
HILL, Nicholas S. - COOTE, Michelle L. A comparison of methods for theoretical photochemistry : applications, successes and challenges. In Annual reports in computational chemistry. Amsterdam : Elsevier, 2019. Vol. 15. ISBN 978-0-12-817120-2, pp. 203-285.
YIN, Hang - ZHANG, Yu-Mo - ZHAO, Hui-Fang - YANG, GuoJian - SHI, Ying - ZHANG, Sean Xiao-An - DING, Da-Jun. Optical anti-counterfeiting of a single molecule by two solvents based on intra- and intermocular excited state proton transfer mechanisms. In Dyes and pigments. ISSN 0143-7208, 2018, vol. 159, pp. 506-512.
MEISNER, Quinton J. - YOUNES, Ali H. - YUAN, Zhao - SREENATH, Kesavapillai - HURLEY, Joseph J. M. - ZHU, Lei. Excitation-dependent multiple fluorescence of a substituted 2-(2 '-hydroxyphenyl)benzoxazole. In Journal of physical chemistry A. ISSN 1089-5639, 2018, vol. 122, no. 47, pp. 9209-9223.
ZHOU, Panwang - ZHAO, Li. Accurate description of excited state intramolecular proton transfer that involves zwitterionic state using optimally tuned range-separated time-dependent density functional theory. In International journal of quantum chemistry. ISSN 0020-7608, 2018, vol. 118, no. 15, pp. 1-10.
GAYATHRI, Parthasarathy - PANNIPARA, Mehboobali - AL-SEHEMI, Abdullah G. - ANTHONY, Savarimuthu Philip. Recent advances in excited state intramolecular proton transfer mechanism-based solid state fluorescent materials and stimuli-responsive fluorescence switching. In CrystEngComm. ISSN 1466-8033, 2021, vol. 23, no. 21, pp. 3771-3789.
TOGASAKI, Kei - ARAI, Tatsuo - NISHIMURA, Yoshinobu. Opposite substituent effects in the ground and excited states on the acidity of N-H fragments involved in proton transfer reaction in aromatic urea compounds. In Photochemical and photobiological sciences. ISSN 1474-905X, 2021, vol. 20, no. 4, pp. 523-532.
SHIGEMITSU, Yasuhiro - MURAMATSU, Tatsuya - MUTAI, Toshiki. Computational investigation on ESIPT-driven luminescence of imidazo [1,2-a]pyridine derivatives regulated by inter/intramolecular hydrogen bonding. In Journal of photochemistry and photobiology A : chemistry. ISSN 1010-6030, 2021, vol. 409, art. no. 113140, pp. 1-9.
DONG, Hao - YANG, Huan - ZHAO, Jinfeng - LIU, Xiaoyan - ZHENG, Yujun. Modulation of excited state proton transfer. In Journal of luminescence. ISSN 0022-2313, 2021, vol. 231, art. no. 117840, pp. 1-7.
KERDPOL, Khanittha - DAENGNGERN, Rathawat - SATTAYANON, Chanchai - NAMUANGRUK, Supawadee - RUNGROTMONGKOL, Thanyada - WOLSCHANN, Peter - KUNGWAN, Nawee - HANNONGBUA, Supot. Effect of water microsolvation on the excited-state proton transfer of 3-hydroxyflavone enclosed in gamma-cyclodextrin. In Molecules. ISSN 1420-3049, 2021, vol. 26, no. 4, pp. 1-14.
KUKHTA, Nadzeya A. - BRYCE, Martin R. Dual emission in purely organic materials for optoelectronic applications. In Materials horizons. ISSN 2051-6347, 2021, vol. 8, no. 1, pp. 33-55.
MENA, Leandro D. - VERA, D. M. A. - BAUMGARTNER, Maria T. Impact of benzannulation on ESIPT in 2-(2 '-hydroxyphenyl)-oxazoles : a unified perspective in terms of excited-state aromaticity and intramolecular charge transfer. In RSC advances. ISSN 2046-2069, 2020, vol. 10, no. 64, pp. 39049-39059.
MORAES, Emmanuel Santos - ALVES DUARTE, Luis Gustavo Teixeira - GERMINO, Jose Carlos - ZAMBON ATVARS, Teresa Dib. Near attack conformation as strategy for ESIPT modulation for white-light generation. In Journal of physical chemistry C. ISSN 1932-7447, 2020, vol. 124, no. 41, pp. 22406-22415.
KUMAR, Gulshan - PAUL, Kamaldeep - LUXAMI, Vijay. Deciphering the excited state intramolecular charge-coupled double proton transfer in an asymmetric quinoline-benzimidazole system. In New journal of chemistry. ISSN 1144-0546, 2020, vol. 44, no. 29, pp. 12866-12874.
ANAND, Neethu - NAG, Probal - KANAPARTHI, Ravi Kumar - VENNAPUSA, Sivaranjana Reddy. O-H vibrational motions promote sub-50 fs nonadiabatic dynamics in 3-hydroxypyran-4-one : interplay between internal conversion and ESIPT. In Physical chemistry chemical physics. ISSN 1463-9076, 2020, vol. 22, no. 16, pp. 8745-8756.
NI, Mei - SU, Shenyang - FANG, Hua. Substituent control of photophysical properties for excited-state intramolecular proton transfer (ESIPT) of o-LHBDI derivatives : a TD-DFT investigation. In Journal of molecular modeling. ISSN 1610-2940, 2020, vol. 26, no. 5, pp. [1-10].
ZHANG, Nuonuo - LIU, Genjiang - YAN, Jiaying - ZHANG, Tingting - LIU, Xiang. Naked diazaborepin dyes : synthesis, photophysical properties, substituent effects and theoretical calculations on ESIPT process. In Dyes and pigments. ISSN 0143-7208, 2020, vol. 175, art. no. 108128, pp. 1-7.
TANG, Zhe - WEI, Haiwen - ZHOU, Panwang. Effects of solvents on the excited state intramolecular proton transfer and hydrogen bond mechanisms of alizarin and its isomers. In Journal of molecular liquids. ISSN 0167-7322, 2020, vol. 301, art. no. 112415, pp. 1-10.
WATWIANGKHAM, Athis - ROONGCHAROEN, Thantip - KUNGWAN, Nawee. Effect of nitrogen substitution and pi-conjugation on photophysical properties and excited state intramolecular proton transfer reactions of methyl salicylate derivatives : theoretical investigation. In Journal of photochemistry and photobiology A : chemistry. ISSN 1010-6030, 2020, vol. 389, art. no. 112267, pp. 1-11.
MISHRA, Virendra R. - GHANAVATKAR, Chaitannya W. - SEKAR, Nagaiyan. Towards NIR-active hydroxybenzazole (HBX)-based ESIPT motifs : a recent research trend. In ChemistrySelect. ISSN 2365-6549, 2020, vol. 5, no. 6, pp. 2103-2113.
ZHANG, Nuonuo - ZHANG, Tingting - WEN, Liu - WANG, Long - YAN, Jiaying - ZHENG, Kaibo. Tuning the excited-state intramolecular proton transfer (ESIPT) process of indole-pyrrole systems by pi-conjugation and substitution effects : experimental and computational studies. In Physical chemistry chemical physics. ISSN 1463-9076, 2020, vol. 22, no. 3, pp. 1409-1415.
LI, Chaozheng - HU, Bo - LIU, Yufang. Unraveling the effect of two different polar solvents on the excited-state intramolecular proton transfer of 4 '-methoxy-3-hydroxyflavone fluorescent dye. In Spectrochimica acta. Part A : molecular and biomolecular spectroscopy. ISSN 1386-1425, 2020, vol. 225, art. no. 117487, pp. 1-7.
NI, Mei - SU, Shenyang - FANG, Hua. Excited state intramolecular proton transfer via different size of hydrogen bond ring : a theoretical insight. In Theoretical chemistry accounts. ISSN 1432-881X, 2019, vol. 138, no. 12, pp. [1-8].
MISHRA, Virendra R. - GHANAVATKAR, Chaitannya W. - SEKAR, Nagaiyan. ESIPT clubbed azo dyes as deep red emitting fluorescent molecular rotors : photophysical properties, pH study, viscosity sensitivity, and DFT studies. In Journal of luminescence. ISSN 0022-2313, 2019, vol. 215, art. no. 116689, pp. 1-9.
KUZU, Burak - TAN, Meltem - EKMEKCI, Zeynep - MENGES, Nurettin. A novel structure for ESIPT emission : experimental and theoretical investigations. In Journal of photochemistry and photobiology A : chemistry. ISSN 1010-6030, 2019, vol. 381, art. no. 111874, pp. 1-7.
KHANRA, Somnath - TA, Sabyasachi - GHOSH, Milan - CHATTERJEE, Sudeshna - DAS, Debasis. Subtle structural variation in azine/imine derivatives controls Zn2+ sensitivity : ESIPT-CHEF combination for nano-molar detection of Zn2+ with DFT support. In RSC advances. ISSN 2046-2069, 2019, vol. 9, no. 37, pp. 21302-21310.
HONG, Dan-Li - LUO, Yang-Hui - HE, Xiao-Tong - ZHENG, Zi-Yue - SU, Shan - WANG, Jia-Ying - WANG, Cong - CHEN, Chen - SUN, Bai-Wang. Unraveling the mechanisms of the excited-state intermolecular proton transfer (ESPT) for a D-pi-a molecular architecture. In Chemistry : a European journal. ISSN 0947-6539, 2019, vol. 25, no. 37, pp. 8805-8812.
BHOL, Mamina - PRIYATHARSINI, Maruthupandiyan - KRISHNAKUMAR, Rajaputi Venkatraman - SATHIYENDIRAN, Malaichamy. Solid state structure and photophysical properties of monoanionic 2-(2 '-hydroxyphenyl)benzimidazole as an anionic core in rhenium complex. In Journal of organometallic chemistry. ISSN 0022-328X, 2019, vol. 889, pp. 27-32.
MENA, Leandro D. - VERA, D. M. A. - BAUMGARTNER, Maria T. - JIMENEZ, Liliana B. Adiabatic deprotonation as an important competing pathway to ESIPT in photoacidic 2-phenylphenols. In Physical chemistry chemical physics. ISSN 1463-9076, 2019, vol. 21, no. 23, pp. 12231-12240.
LAMPKIN, Bryan J. - NGUYEN, Yen H. - KARADAKOV, Peter B. - VANVELLER, Brett. Demonstration of Baird's rule complementarity in the singlet state with implications for excited-state intramolecular proton transfer. In Physical chemistry chemical physics. ISSN 1463-9076, 2019, vol. 21, no. 22, pp. 11608-11614.
YUAN, Huijuan - GUO, Xugeng - ZHANG, Jinglai. Ab initio insights into the mechanism of excited-state intramolecular proton transfer triggered by the second excited singlet state of a fluorescent dye : an anti-Kasha behavior. In Materials chemistry frontiers. ISSN 2052-1537, 2019, vol. 3, no. 6, pp. 1225-1230.
SATAPATHY, Ashok K. - BEHERA, Santosh K. - YADAV, Ankit - MAHOUR, Laxmi Narayan - YELAMAGGAD, C. - SANDHYA, K. L. - SAHOO, Balaram. Tuning the fluorescence behavior of liquid crystal molecules containing Schiff-base : effect of solvent polarity. In Journal of luminescence. ISSN 0022-2313, 2019, vol. 210, pp. 371-375.
XIA, Shu-Hua - CHE, Meng - LIU, Yan - ZHANG, Yan - CUI, Ganglong. Photochemical mechanism of 1,5-benzodiazepin-2-one : electronic structure calculations and nonadiabatic surface-hopping dynamics simulations. In Physical chemistry chemical physics. ISSN 1463-9076, 2019, vol. 21, no. 19, pp. 10086-10094.
LIU, Deming - DING, Qiuping - FU, Yang - SONG, Zhibin - PENG, Yiyuan. Rh-catalyzed C-H amidation of 2-arylbenzo[d]thiazoles : an approach to single organic molecule white light emitters in the solid state. In Organic letters. ISSN 1523-7060, 2019, vol. 21, no. 8, pp. 2523-2527.
WEN, Keke - GUO, Xugeng - ZHANG, Jinglai. Computational prediction on photophysical properties of two excited state intramolecular proton transfer (ESIPT) fluorophores bearing the benzothiazole group. In Molecular physics. ISSN 0026-8976, 2019, vol. 117, no. 6, pp. 804-812.
LAMPKIN, Bryan J. - MONTEIRO, Cecilia - POWERS, Evan T. - BOUC, Paige M. - KELLY, Jeffery W. - VANVELLER, Brett. A designed protein binding-pocket to control excited-state intramolecular proton transfer fluorescence. In Organic and biomolecular chemistry. ISSN 1477-0520, 2019, vol. 17, no. 5, pp. 1076-1080.
RAJESHIRKE, Manali - KADAM, Mayuri - SEKAR, Nagaiyan. Solvent and substituents effect on the UV/Vis absorption spectra of novel acidochromic 2-aminothiazole based disperse mono azo dyes. In Fibers and polymers. ISSN 1229-9197, 2019, vol. 20, no. 2, pp. 320-327.
YU, Xue-fang - XIAO, Bo - LI, Qingzhong - CHENG, Jian-bo. Sensing mechanism of HBT based F anion fluorescence sensor : a theoretical study. In Sensors and actuators B : chemical. ISSN 0925-4005, 2019, vol. 280, pp. 162-170.
ROOHI, Hossein - SHERKHANI, Hamead Reza - MAHBOB, Homaera. Fine-tuning the photophysical properties of the five quinolin based nanophotoswitches in the gas phase, polar and nonpolar solvents : A TD-DFT approach. In Journal of luminescence. ISSN 0022-2313, 2018, vol. 204, pp. 230-243.
LU, Xuemei - ZHAI, Yuchuan - SONG, Peng - ZHANG, Meixia. A theoretical prediction about harnessing ESPT process for HBO derivatives. In Structural chemistry. ISSN 1040-0400, 2018, vol. 29, no. 6, pp. 1655-1661.
ZHAO, Ningjiu - LI, Yang - JIA, Yan - LI, Peng. Identifying the role of intramolecular charge transfer and excited-state proton transfer in fluorescence mechanism for an azido-based chemosensor. In Journal of physical chemistry C. ISSN 1932-7447, 2018, vol. 122, no. 46, pp. 26576-26583.
BARBOZA, Cristina A. - SOBOLEWSKI, Andrzej L. An ab initio study on the photophysics of tris(salicylideneaniline). In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 39, pp. 25164-25168.
JANG, Yoon-Jung - HWANG, Soon-Hyeok - NOH, Jinkyung - CHOI, Tae-Lim. Library of fluorescent polysulfonamides and polyamide synthesized by iridium-catalyzed direct C-H amidation polymerization. In Macromolecules. ISSN 0024-9297, 2018, vol. 51, no. 19, pp. 7476-7482.
SERDIUK, Illia E. Design and emissive features of ionic white-light fluorophore. In Journal of physical chemistry C. ISSN 1932-7447, 2018, vol. 122, no. 32, pp. 18615-18620.
MENG, Qingchi - YANG, Songqiu - REN, Guanghua - CHU, Tianshu. A two-channel mechanism for the asymmetric excited-state intramolecular double proton transfer in a hydroxyflavone derivative. In Journal of luminescence. ISSN 0022-2313, 2018, vol. 200, pp. 14-18.
ZHOU, Panwang - HAN, Keli. Unraveling the detailed mechanism of excited-state proton transfer. In Accounts of chemical research. ISSN 0001-4842, 2018, vol. 51, no. 7, pp. 1681-1690.
CHEN, Chi-Lin - CHEN, Yi-Ting - DEMCHENKO, Alexander P. - CHOU, Pi-Tai. Amino proton donors in excited-state intramolecular proton-transfer reactions. In Nature reviews chemistry. ISSN 2397-3358, 2018, vol. 2, no. 7, pp. 131-143.
TONG, Yuping - MEI, Wanwan - MA, Juntao. Theoretical insight into the excited-state proton transfer process : role of the substituentCN on HBT system. In Journal of physical organic chemistry. ISSN 0894-3230, 2018, vol. 31, no. 7.
WU, Chengfeng - JIN, Yingzhi - LI, Dahua - DING, Lan - XING, Yuzhi - ZHANG, Kaicheng - SONG, Bo. Separately enhanced dual emissions of the amphiphilic derivative of 2-( 20-hydroxylphenyl) benzothiazole by supramolecular complexation. In Soft matter. ISSN 1744-683X, 2018, vol. 14, no. 21, pp. 4374-4379.
HU, Yinghui - GAO, Xiang - LI, Xiang - LIANG, Haoqi - ZHANG, Dan - LIU, Changlin. The application of flavonoid derivatives as redox-responsive fluorescent probes in hydrophobic microenvironment. In Sensors and actuators B : chemical. ISSN 0925-4005, 2018, vol. 262, pp. 144-152.
YANG, Dapeng - YANG, Guang - JIA, Min - SONG, Xiaoyan - ZHANG, Qiaoli. Comparing the substituent effects about ESIPT process for HBO derivatives. In Computational and theoretical chemistry. ISSN 2210-271X, 2018, vol. 1131, pp. 51-56.
SATAPATHY, Ashok K. - BEHERA, Santosh Kumar - KUMAR, Rajeev - SANDHYA, K. L. - YELAMAGGAD, C. V. - SAHOO, Balaram. Excited state intramolecular proton transfer emission in bent core liquid crystals. In Journal of photochemistry and photobiology A : chemistry. ISSN 1010-6030, 2018, vol. 358, pp. 186-191.
MATSUMOTO, Hisato - AZUMA, Kyoko - NISHIMURA, Yoshinobu - ARAI, Tatsuo. A drastic red-shift of tautomer fluorescence depending on the substitution pattern of pyrene-urea compounds generated by excited state intermolecular proton transfer. In Chemistry letters. ISSN 0366-7022, 2018, vol. 47, no. 4, pp. 483-486.
ROOHI, Hossein - NOKHOSTIN, Roghayeh. Molecular engineering of the photo switching in the ortho chromophores of the nanostructured green fluorescence protein. In Journal of luminescence. ISSN 0022-2313, 2018, vol. 196, pp. 406-424.
YUAN, Huijuan - FENG, Songyan - WEN, Keke - GUO, Xugeng - ZHANG, Jinglai. The excited-state intramolecular proton transfer in N-H-type dye molecules with a seven-membered-ring intramolecular hydrogen bond : a theoretical insight. In Spectrochimica acta. Part A : molecular and biomolecular spectroscopy. ISSN 1386-1425, 2018, vol. 191, pp. 421-426.
LI, Bijin - ZHOU, Linsen - CHENG, Hu - HUANG, Quan - LAN, Jingbo - ZHOU, Liang - YOU, Jingsong. Dual-emissive 2-(2 '-hydroxyphenyl)oxazoles for high performance organic electroluminescent devices: discovery of a new equilibrium of excited state intramolecular proton transfer with a reverse intersystem crossing process. In Chemical science. ISSN 2041-6520, 2018, vol. 9, no. 5, pp. 1213-1220.
DOMMETT, Michael - RIVERA, Miguel - CRESPO-OTERO, Rachel. How inter- and intramolecular processes dictate aggregation-induced emission in crystals undergoing excited-state proton transfer. In Journal of physical chemistry letters. ISSN 1948-7185, 2017, vol. 8, no. 24, pp. 6148-6153.
MATSUMOTO, Hisato - NISHIMURA, Yoshinobu - ARAI, Tatsuo. Excited-state intermolecular proton transfer dependent on the substitution pattern of anthracene-diurea compounds involved in fluorescent ON1-OFF-ON2 response by the addition of acetate ions. In Organic and biomolecular chemistry. ISSN 1477-0520, 2017, vol. 15, no. 31, pp. 6575-6583.
YUAN, Huijuan - FENG, Songyan - WEN, Keke - ZHU, Qiuling - AN, Beibei - GUO, Xugeng - ZHANG, Jinglai. A quantum-chemical insight into the tunable fluorescence color and distinct photoisomerization mechanisms between a novel ESIPT fluorophore and its protonated form. In Spectrochimica acta. Part A : molecular and biomolecular spectroscopy. ISSN 1386-1425, 2017, vol. 183, pp. 123-130.
MANOJAI, Natthaporn - DAENGNGERN, Rathawat - KERDPOL, Khanittha - NGAOJAMPA, Chanisorn - KUNGWAN, Nawee. Heteroatom effect on photophysical properties of 2-(2 '-hydroxyphenyl) benzimidazole and its derivatives as fluorescent dyes : A TD-DFT study. In Journal of luminescence. ISSN 0022-2313, 2017, vol. 188, pp. 275-282.
MATWIJCZUK, Arkadiusz - KARCZ, Dariusz - KLUCZYK, Dariusz - MATWIJCZUK, Alicja - GLADYSZEWSKA, Bozena - NIEWIADOMY, Andrzej - GAGOS, Mariusz. Temperature-dependent dual fluorescence effects in 4-(5-heptylo-1,3,4-tiadiazol-2-ilo)benzeno-1,3-diol (C7). In Przemysl chemiczny. ISSN 0033-2496, 2017, vol. 96, no. 7, pp. 1511-1514.
ZHANG, Xuan - MA, Wei-Wei. Amplified excited state intramolecular proton transfer fluorescence of butterfly-shaped bis-2,6-dibenzothiazolylphenol. In Methods and applications in fluorescence. ISSN 2050-6120, 2017, vol. 5, no. 2.
KESHAV, Karunesh - KUMAWAT, Mukesh Kumar - SRIVASTAVA, Rohit - RAVIKANTH, M. Benzothiazoles-substituted tetraphenylethylenes : synthesis, structure, aggregation-induced emission and biological studies. In Materials chemistry frontiers. ISSN 2052-1537, 2017, vol. 1, no. 6, pp. 1207-1216.
SAVARESE, Marika - RAUCCI, Umberto - FUKUDA, Ryoichi - ADAMO, Carlo - EHARA, Masahiro - REGA, Nadia - CIOFINI, Ilaria. Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces : an excited state proton transfer reaction as case study. In Journal of computational chemistry. ISSN 0192-8651, 2017, vol. 38, no. 14, pp. 1084-1092.
HUANG, Manna - YE, Shuxian - XU, Ke - ZHOU, Jie - LIU, Junliang - ZHU, Xinhai - WAN, Yiqian. Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b] thieno[3,2-e]pyridines (TTPs). In Journal of materials chemistry C. ISSN 2050-7526, 2017, vol. 5, no. 14.
LIN, Heyang - CHANG, Xueping - YAN, Dongpeng - FANG, Wei-Hai - CUI, Ganglong. Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation : a combined experimental and theoretical study. In Chemical science. ISSN 2041-6520, 2017, vol. 8, no. 3, pp. 2086-2090.
DOMMETT, Michael - CRESPO-OTERO, Rachel. Excited state proton transfer in 2 '-hydroxychalcone derivatives. In Physical chemistry chemical physics. ISSN 1463-9076, 2017, vol. 19, no. 3, pp. 2409-2416.
LI, Yazhen - LI, Yuanying - SU, Qingqing - WANG, Bin - GUO, Ni - LIU, Fengyi. Tuning of energetics and reaction mechanism of water-assisted intramolecular proton transfer of 7-azaindole by external electric field applied in various directions : a TD-DFT study. In Theoretical chemistry accounts. ISSN 1432-881X, 2017, vol. 136, no. 2, pp. 1-11.
NISHINA, Naoko - MUTAI, Toshiki - AIHARA, Jun-ichi. Excited-state intramolecular proton transfer and global aromaticity. In Journal of physical chemistry A. ISSN 1089-5639, 2017, vol. 121, no. 1, pp. 151-161.
KARSILI, Tolga N. V. - MARCHETTI, Barbara - ASHFOLD, Michael N. R. Mechanistic insights into excited state intramolecular proton transfer in isolated and metal chelated supramolecular chemosensors. In Dalton transactions. ISSN 1477-9226, 2016, vol. 45, no. 47, pp. 18921-18930.
ZHANG, Zhiyun - CHEN, Yi-An - HUNG, Wen-Yi - TANG, Wei-Feng - HSU, Yen-Hao - CHEN, Chi-Lin - MENG, Fan-Yi - CHOU, Pi-Tai. Control of the reversibility of excited-state intramolecular proton transfer (ESIPT) reaction : host-polarity tuning white organic light emitting diode on a new thiazolo[5,4-d]thiazole ESIPT system. In Chemistry of materials. ISSN 0897-4756, 2016, vol. 28, no. 23, pp. 8815-8824.
DA ROCHA, Eduardo P. - RODRIGUES, Henrique A. - DA CUNHA, Elaine F. F. - RAMALHO, Teodorico C. Probing kinetic and thermodynamic parameters as well as solvent and substituent effects on spectroscopic probes of 2-amino-1,4-naphthoquinone derivatives. In Computational and theoretical chemistry. ISSN 2210-271X, 2016, vol. 1096, pp. 17-26.
PRADHAN, Renuka - HARSHAN, Aparna Karippara - CHANDRIKA, Gowri Sreedevi Krishnavilasam - SRINIVASAN, Alagar - LOURDERAJ, Upakarasamy. Time-dependent density functional theoretical investigation of photoinduced excited-state intramolecular dual proton transfer in diformyl dipyrromethanes. In Journal of physical chemistry A. ISSN 1089-5639, 2016, vol. 120, no. 50, pp. 9894-9906.
KANLAYAKAN, Narissa - KUNGWAN, Nawee. Molecular design of amino-type hydrogen-bonding molecules for excited-state intramolecular proton transfer (ESIPT)-based fluorescent probe using the TD-DFT approach. In New journal of chemistry. ISSN 1144-0546, 2021, vol. 45, no. 28, pp. 12500-12508.
BEHERA, Santosh Kumar - PARK, Soo Young - GIERSCHNER, Johannes. Dual emission : classes, mechanisms, and conditions. In Angewandte Chemie : international edition. ISSN 1433-7851, 2021, vol. 60, no. 42, pp. 22624-22638.
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