Works about REORGANIZATION energy

Results: 177

On destabilization of the Fenna-Matthews-Olson complex of Chlorobaculum tepidum.

Published in:

Photosynthesis Research, 2014, v. 120, n. 3, p. 323, doi. 10.1007/s11120-014-9990-y

By:

Kell, Adam;
Acharya, Khem;
Blankenship, Robert;
Jankowiak, Ryszard

Publication type:

Article

Thermodynamic analysis of cellulose complex in NaOH–urea solution using reference interaction site model.

Published in:

Cellulose, 2020, v. 27, n. 12, p. 6767, doi. 10.1007/s10570-020-03202-w

By:

Huh, Eugene;
Yang, Ji-Hyun;
Lee, Chang-Ha;
Ahn, Ik-Sung;
Mhin, Byung Jin

Publication type:

Article

On the Sufficiency of a Single Hidden Layer in Feed-Forward Neural Networks Used for Machine Learning of Materials Properties.

Published in:

Physchem, 2025, v. 5, n. 1, p. 4, doi. 10.3390/physchem5010004

By:

Thant, Ye Min;
Manzhos, Sergei;
Ihara, Manabu;
Nukunudompanich, Methawee

Publication type:

Article

Enhancing Power Conversion Efficiency Above 17% Through End-group Engineering of thieno[3,2-b]thiophene and 2,4,6-triisopropylphenyl-based Nonfused-ring Electron Acceptors for Organic Photovoltaics: A DFT Insight.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 9, p. 1265, doi. 10.1142/S2737416525500206

By:

Farooq, Afsa;
Khan, Muhammad Usman;
Idrees, Munazza;
Abdelbacki, Ashraf M. M.;
Ibrahim, Mahmoud A. A.

Publication type:

Article

Role of Near-IR Sensitive Asymmetric A–DA′D–π–A-type Non-Fullerene Acceptors for Efficient Organic Solar Cells: A Theoretical Insight.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 1, p. 103, doi. 10.1142/S2737416524500546

By:

Adnan, Muhammad;
Munir, Iqra;
Hussain, Riaz;
Irshad, Zobia;
Siddique, Sabir Ali;
Darwish, Hany W.

Publication type:

Article

Tuning of Optoelectronic Characteristics of Quinoxalineimide-based Novel Non-Fullerene Acceptors for Organic Photovoltaic Applications.

Published in:

Journal of Computational Biophysics & Chemistry, 2024, v. 23, n. 8, p. 1073, doi. 10.1142/S2737416524500297

By:

Adnan, Muhammad;
Sufyan, Muhammad;
Irshad, Zobia;
Hussain, Riaz;
Darwish, Hany W.;
Atiq, Kainat;
Lim, Jongchul

Publication type:

Article

Testing and Optimizing the Drude Polarizable Force Field for Blocked Amino Acids Based on High-Level Quantum-Mechanical Energy Surfaces.

Published in:

Journal of Computational Biophysics & Chemistry, 2022, v. 21, n. 4, p. 405, doi. 10.1142/S2737416521420023

By:

Chen, Jinfeng;
König, Gerhard

Publication type:

Article

Paradoxical Activation in the Cerebellum During Language fMRI in Patients with Brain Tumors: Possible Explanations Based on Neurovascular Uncoupling and Functional Reorganization.

Published in:

Cerebellum, 2018, v. 17, n. 3, p. 286, doi. 10.1007/s12311-017-0902-5

By:

Cho, Nicholas S.;
Peck, Kyung K.;
Zhang, Zhigang;
Holodny, Andrei I.

Publication type:

Article

Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations.

Published in:

Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-99585-6

By:

Khalid, Muhammad;
Tayyab, Fatima;
Adeel, Muhammad;
Tahir, Nayab;
Braga, Ataualpa A. C.;
Alrashidi, Khalid Abdullah

Publication type:

Article

Benzotrifuran based organic molecules for optoelectronic and charge transport properties for organic electronic devices.

Published in:

Journal of the Chinese Chemical Society, 2024, v. 71, n. 7, p. 643, doi. 10.1002/jccs.202400088

By:

Kumar, Vipin;
Chetti, Prabhakar

Publication type:

Article

Comments on some chemical properties of diphenyl disulfide and its derivatives: II.Correlating the studies of reductive cleavage of disulfide bonds with the studies of anti‐human immunodeficiency virus activity with lowest unoccupied molecular orbital properties

Published in:

Journal of the Chinese Chemical Society, 2020, v. 67, n. 11, p. 2149, doi. 10.1002/jccs.202000044

By:

Lin, Hung‐Sung;
Wu, Yan;
Liu, Yu‐Ju;
Chen, Shu‐Hui;
Chen, Wei‐Ting;
Wang, Shao‐Pin

Publication type:

Article

Radiative and non-radiative exciton recombination rate constants in ZnSe clusters.

Published in:

European Physical Journal B: Condensed Matter, 2019, v. 92, n. 12, p. 1, doi. 10.1140/epjb/e2019-100406-y

By:

Du, Ning;
Yu, Shengping;
Xie, Yujuan;
Cui, Yingqi;
Zhang, Li;
Yang, Mingli

Publication type:

Article

Fluorinating π‐Extended Molecular Acceptors Yields Highly Connected Crystal Structures and Low Reorganization Energies for Efficient Solar Cells.

Published in:

Advanced Energy Materials, 2020, v. 10, n. 23, p. 1, doi. 10.1002/aenm.202000635

By:

Swick, Steven M.;
Alzola, Joaquin M.;
Sangwan, Vinod K.;
Amsterdam, Samuel H.;
Zhu, Weigang;
Jones, Leighton O.;
Powers‐Riggs, Natalia;
Facchetti, Antonio;
Kohlstedt, Kevin L.;
Schatz, George C.;
Hersam, Mark C.;
Wasielewski, Michael R.;
Marks, Tobin J.

Publication type:

Article

Heterojunction Organic Solar Cells with Efficient Charge Mobility and Separation Capabilities Studied by DFT.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 72, p. 1, doi. 10.1002/chem.202402928

By:

Huang, Yuqiang;
Zhang, Kaiyan;
Song, Peng;
Ma, Fengcai;
Li, Yuanzuo

Publication type:

Article

Facilitating Electron Transfer by Resizing Cyclocarbon Acceptor from C18 to C16.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 29, p. 1, doi. 10.1002/chem.202400215

By:

Stasyuk, O. A.;
Voityuk, A. A.;
Stasyuk, A. J.

Publication type:

Article

The Field of Main Group Lewis Acids and Lewis Superacids: Important Basics and Recent Developments.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 1, p. 1, doi. 10.1002/chem.202302457

By:

Timoshkin, Alexey Y.

Publication type:

Article

Highly Efficient Luminescence from a Red Thermally Activated Delayed Fluorescence Emitter with Flexible Conformation of Ancillary Groups.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 56, p. 1, doi. 10.1002/chem.202301921

By:

Jin, Yu‐Xin;
Chen, Zi‐Qi;
Zhang, Kai;
Yang, Chen‐Zong;
Pan, Ze‐Hui;
Ding, Lei;
Sun, Yan‐Qiu;
Wang, Chuan‐Kui;
Fung, Man‐Keung;
Fan, Jian

Publication type:

Article

Stable Spiro‐Fused Diarylaminyl Radicals: A New Type of a Neutral Mixed‐Valence System.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 43, p. 1, doi. 10.1002/chem.202301250

By:

Sentyurin, Vyacheslav V.;
Levitskiy, Oleg A.;
Bogdanov, Alexey V.;
Yankova, Tatiana S.;
Dorofeev, Sergey G.;
Lyssenko, Konstantin A.;
Gontcharenko, Victoria E.;
Magdesieva, Tatiana V.

Publication type:

Article

Orbital Nature of Carboionic Monoradicals Made from Diradicals.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 27, p. 1, doi. 10.1002/chem.202300388

By:

Valdivia, Abel Cardenas;
Dai, Yasi;
Rambaldi, Filippo;
Barker, Joshua E.;
Dressler, Justin J.;
Zhou, Zheng;
Zhu, Yikun;
Wei, Zheng;
Petrukhina, Marina A.;
Haley, Michael M.;
Negri, Fabrizia;
Casado, Juan

Publication type:

Article

Molecular Design of A−D−A Electron Acceptors Towards Low Energy Loss for Organic Solar Cells.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 18, p. 1, doi. 10.1002/chem.202203356

By:

Guo, Yuan;
Zhu, Lingyun;
Duan, Ruihong;
Han, Guangchao;
Yi, Yuanping

Publication type:

Article

Robust Spirobifluorene Core Based Hole Transporters with High Mobility for Long‐Life Green Phosphorescent Organic Light‐Emitting Devices.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 1, p. 1, doi. 10.1002/chem.202202636

By:

Nagamura, Natsuo;
Sasabe, Hisahiro;
Sato, Hiroki;
Ito, Nozomi;
Abe, Shoki;
Sukegawa, Yoshihito;
Yokoyama, Daisuke;
Kaji, Hironori;
Kido, Junji

Publication type:

Article

Controlling Electronic Events Through Rational Structural Design in Subphthalocyanine–Corrole Dyads: Synthesis, Characterization, and Photophysical Properties.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 60, p. 1, doi. 10.1002/chem.202201552

By:

Mariñas, Víctor;
Platzer, Benedikt;
Labella, Jorge;
Caroleo, Fabrizio;
Nardis, Sara;
Paolesse, Roberto;
Guldi, Dirk M.;
Torres, Tomás

Publication type:

Article

Synthesis of Intramolecular P/Al‐Based Frustrated Lewis Pairs via Aluminum‐Tin‐Exchange and their Reactivity toward CO2.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 25, p. 1, doi. 10.1002/chem.202200404

By:

Federmann, Patrick;
Müller, Robert;
Beckmann, Fabian;
Lau, Caroline;
Cula, Beatrice;
Kaupp, Martin;
Limberg, Christian

Publication type:

Article

NIR‐II Fluorescent Brightness Promoted by "Ring Fusion" for the Detection of Intestinal Inflammation.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 51, p. 13085, doi. 10.1002/chem.202101767

By:

Li, Yaxi;
Zha, Menglei;
Yang, Guang;
Wang, Shuxian;
Ni, Jen‐Shyang;
Li, Kai

Publication type:

Article

Janet Macdonald.

Published in:: Angewandte Chemie, 2022, v. 134, n. 33, p. 1, doi. 10.1002/ange.202208357
Publication type:: Article

Medium Diradical Character, Small Hole and Electron Reorganization Energies and Ambipolar Transistors in Difluorenoheteroles.

Published in:

Angewandte Chemie, 2022, v. 134, n. 33, p. 1, doi. 10.1002/ange.202206680

By:

Mori, Sakura;
Moles Quintero, Sergio;
Tabaka, Naoki;
Kishi, Ryohei;
González Núñez, Raúl;
Harbuzaru, Alexandra;
Ponce Ortiz, Rocío;
Marín‐Beloqui, Jose;
Suzuki, Shuichi;
Kitamura, Chitoshi;
Gómez‐García, Carlos J.;
Dai, Yasi;
Negri, Fabrizia;
Nakano, Masayoshi;
Kato, Shin‐ichiro;
Casado, Juan

Publication type:

Article

Minimizing the Reorganization Energy of Cobalt Redox Mediators Maximizes Charge Transfer Rates from Quantum Dots.

Published in:

Angewandte Chemie, 2022, v. 134, n. 27, p. 1, doi. 10.1002/ange.202202322

By:

Fort, Madeleine J.;
Click, Sophia M.;
Robinson, Evan H.;
He, Felix M. C.;
Bernhardt, Paul V.;
Rosenthal, Sandra J.;
Macdonald, Janet E.

Publication type:

Article

A Phenanthrocarbazole‐Based Dopant‐Free Hole‐Transport Polymer with Noncovalent Conformational Locking for Efficient Perovskite Solar Cells.

Published in:

Angewandte Chemie, 2022, v. 134, n. 6, p. 1, doi. 10.1002/ange.202114341

By:

Guo, Yaxiao;
He, Lanlan;
Guo, Jiaxin;
Guo, Yu;
Zhang, Fuguo;
Wang, Linqin;
Yang, Hao;
Xiao, Chenhao;
Liu, Yi;
Chen, Yongsheng;
Yao, Zhaoyang;
Sun, Licheng

Publication type:

Article

Synthesis, Aromaticity, and Application of peri‐Pentacenopentacene: Localized Representation of Benzenoid Aromatic Compounds.

Published in:

Angewandte Chemie, 2022, v. 134, n. 1, p. 1, doi. 10.1002/ange.202112794

By:

Jousselin‐Oba, Tanguy;
Mamada, Masashi;
Wright, Karen;
Marrot, Jérome;
Adachi, Chihaya;
Yassar, Abderrahim;
Frigoli, Michel

Publication type:

Article

Side‐Chain Engineering for Enhancing the Molecular Rigidity and Photovoltaic Performance of Noncovalently Fused‐Ring Electron Acceptors.

Published in:

Angewandte Chemie, 2021, v. 133, n. 32, p. 17861, doi. 10.1002/ange.202106753

By:

Zhang, Xin;
Li, Congqi;
Qin, Linqing;
Chen, Hao;
Yu, Jianwei;
Wei, Yanan;
Liu, Xingzheng;
Zhang, Jianqi;
Wei, Zhixiang;
Gao, Feng;
Peng, Qian;
Huang, Hui

Publication type:

Article

An Ester‐Substituted Semiconducting Polymer with Efficient Nonradiative Decay Enhances NIR‐II Photoacoustic Performance for Monitoring of Tumor Growth.

Published in:

Angewandte Chemie, 2020, v. 132, n. 51, p. 23468, doi. 10.1002/ange.202010228

By:

Zha, Menglei;
Lin, Xiangwei;
Ni, Jen‐Shyang;
Li, Yaxi;
Zhang, Yachao;
Zhang, Xun;
Wang, Lidai;
Li, Kai

Publication type:

Article

Controlled Generation of 9‐Boratriptycene by Lewis Adduct Dissociation: Accessing a Non‐Planar Triarylborane.

Published in:

Angewandte Chemie, 2020, v. 132, n. 30, p. 12502, doi. 10.1002/ange.202003119

By:

Chardon, Aurélien;
Osi, Arnaud;
Mahaut, Damien;
Doan, Thu‐Hong;
Tumanov, Nikolay;
Wouters, Johan;
Fusaro, Luca;
Champagne, Benoît;
Berionni, Guillaume

Publication type:

Article

Crystallization‐Induced Reversal from Dark to Bright Excited States for Construction of Solid‐Emission‐Tunable Squaraines.

Published in:

Angewandte Chemie, 2020, v. 132, n. 25, p. 10222, doi. 10.1002/ange.201914437

By:

Yang, Shuaijun;
Yin, Ping‐An;
Li, Lin;
Peng, Qian;
Gu, Xinggui;
Gao, Ge;
You, Jingsong;
Tang, Ben Zhong

Publication type:

Article

Photoinduced Electron Transfer in Organic Solar Cells.

Published in:

Chemical Record, 2016, v. 16, n. 2, p. 734, doi. 10.1002/tcr.201500244

By:

Song, Peng;
Li, Yuanzuo;
Ma, Fengcai;
Pullerits, Tõnu;
Sun, Mengtao

Publication type:

Article

Mechanism of primary and secondary ion-radical pair formation in photosystem I complexes.

Published in:

Biochemistry (00062979), 2014, v. 79, n. 3, p. 221, doi. 10.1134/S0006297914030079

By:

Milanovsky, G.;
Ptushenko, V.;
Cherepanov, D.;
Semenov, A.

Publication type:

Article

降低非富勒烯有机太阳能电池能量损失的机制和策略.

Published in:

Journal of Functional Polymers, 2023, v. 36, n. 4, p. 321, doi. 10.14133/j.cnki.1008-9357.20230222001

By:

杨开茗;
常雁红;
常艺琳;
吕琨;
魏志祥

Publication type:

Article

Promotion and Tuning of the Electrochemical Reduction of Hetero‐ and Homobimetallic Zinc Complexes**.

Published in:

ChemElectroChem, 2021, v. 8, n. 15, p. 2792, doi. 10.1002/celc.202100358

By:

Kelsey, Shaun R.;
Kumar, Amit;
Oliver, Allen G.;
Day, Victor W.;
Blakemore, James D.

Publication type:

Article

Fluorination of 2,5-diphenyl-1,3,4-oxadiazole enhances the electron transport properties for OLED devices: a DFT analysis.

Published in:

Phase Transitions, 2022, v. 95, n. 12, p. 888, doi. 10.1080/01411594.2022.2129051

By:

Tiwari, Aditya;
Chauhan, Madan Singh;
Sharma, Dipendra

Publication type:

Article

Role of Electronic and Steric Effects on Ruthenium Catalysts with Bulky NHC Ligands and Relationship with the Z-Selectivity in Olefin Metathesis.

Published in:

Catalysts (2073-4344), 2023, v. 13, n. 9, p. 1305, doi. 10.3390/catal13091305

By:

Diaz-González, Valentina;
Paredes-Gil, Katherine

Publication type:

Article

Charge Transport in Organic Semiconducting Crystals Exhibiting TADF: Insight from Quantum Chemical Calculations.

Published in:

Crystals (2073-4352), 2023, v. 13, n. 1, p. 55, doi. 10.3390/cryst13010055

By:

Sosorev, Andrey Y.;
Dominskiy, Dmitry I.;
Dubinets, Nikita O.

Publication type:

Article

Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-30308-5

By:

Giannini, Samuele;
Peng, Wei-Tao;
Cupellini, Lorenzo;
Padula, Daniele;
Carof, Antoine;
Blumberger, Jochen

Publication type:

Article

Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-29621-w

By:

Ullah, Arif;
Dral, Pavlo O.

Publication type:

Article

Synthesis, crystal structure, spectral, and DFT analysis of 2-(2,3,4-trimethoxyphenyl)-1H-phenanthro[9,10-d]imidazole as charge transport material.

Published in:

Journal of the Iranian Chemical Society, 2024, v. 21, n. 12, p. 2907, doi. 10.1007/s13738-024-03111-w

By:

Solo, Peter;
Arockia doss, M.

Publication type:

Article

Electronic structure of hybrid pentaheptite carbon nanoflakes containing boron-nitrogen motifs.

Published in:

Journal of Molecular Modeling, 2020, v. 26, n. 4, p. 1, doi. 10.1007/s00894-020-4324-9

By:

de la Garza, Cesar Gabriel Vera;
Narváez, Wilmer Esteban Vallejo;
Rodríguez, Luis Daniel Solís;
Fomine, Serguei

Publication type:

Article

Designing indaceno thiophene–based three new molecules containing non-fullerene acceptors as strong electron withdrawing groups with DFT approaches.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 10, p. 1, doi. 10.1007/s00894-019-4198-x

By:

Ajmal, Maryam;
Ali, Usman;
Javed, Ayesha;
Tariq, Amina;
Arif, Zufishan;
Iqbal, Javed;
Shoaib, Muhammad;
Ahmed, Tanveer

Publication type:

Article

Theoretical study of nitrogen cation modified aromatics containing thiophene as π-linker for p-type photosensitizers.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 10, p. N.PAG, doi. 10.1007/s00894-019-4179-0

By:

Sun, Zhi-Dan;
Zhao, Jiang-Shan;
Mei, Zheng;
Ju, Xue-Hai

Publication type:

Article

Theoretical investigation on π-spacer effect of the D–π–A organic dyes for dye-sensitized solar cell applications: a DFT and TD-BHandH study.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 4, p. N.PAG, doi. 10.1007/s00894-019-3963-1

By:

El Mzioui, Souad;
Bouzzine, Si Mohamed;
Sidir, İsa;
Bouachrine, Mohammed;
Bennani, Mohamed Naciri;
Bourass, Mohamed;
Hamidi, Mohamed

Publication type:

Article

The Energetics of Electron Transfer in Redox‐DNA Layers Mimics That of Redox Proteins.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 33, p. 1, doi. 10.1002/chem.202500838

By:

Zheng, Zhiyong;
Grall, Simon;
Kim, Soo Hyeon;
Chovin, Arnaud;
Clement, Nicolas;
Demaille, Christophe

Publication type:

Article

Effect of metalation on some graphene nanoribbons for potential application as donor in organic photovoltaic cells.

Published in:

Journal of Materials Science: Materials in Electronics, 2020, v. 31, n. 24, p. 21923, doi. 10.1007/s10854-020-04696-7

By:

Mainimo, E.;
Ejuh, G. W.;
Ndjaka, J. M. B.

Publication type:

Article

Impact of Ocean Acidification on Ecosystem Functioning and Services in Habitat-Forming Species and Marine Ecosystems.

Published in:

Ecosystems, 2021, v. 24, n. 7, p. 1561, doi. 10.1007/s10021-021-00601-3

By:

Zunino, Serena;
Libralato, Simone;
Melaku Canu, Donata;
Prato, Giulia;
Solidoro, Cosimo

Publication type:

Article