Works about VIBRONIC coupling

Results: 134

Spin‐Vibronic Coupling Controls the Intersystem Crossing of Iodine‐Substituted BODIPY Triplet Chromophores.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 4, p. 1, doi. 10.1002/chem.202303154

By:

Doležel, Jiří;
Poryvai, Anna;
Slanina, Tomáš;
Filgas, Josef;
Slavíček, Petr

Publication type:

Article

Single‐Metal‐Encapsulated Double‐Cage [Pt@Sn17]4−: An Exception from Group 14 Endohedral Clusters.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 64, p. 1, doi. 10.1002/chem.202202651

By:

Xu, Hong‐Lei;
Studvick, Chad;
Liu, Chao;
Xue, Yuan;
Popov, Ivan A.;
Sun, Zhong‐Ming

Publication type:

Article

Charge Separation Dynamics and Opto-Electronic Properties of a Diaminoterephthalate-C60 Dyad.

Published in:

Advanced Functional Materials, 2015, v. 25, n. 13, p. 2047, doi. 10.1002/adfm.201402316

By:

Pittalis, Stefano;
Delgado, Alain;
Robin, Jörg;
Freimuth, Lena;
Christoffers, Jens;
Lienau, Christoph;
Rozzi, Carlo Andrea

Publication type:

Article

Light harvesting in purple bacteria does not rely on resonance fine-tuning in peripheral antenna complexes.

Published in:

Photosynthesis Research, 2024, v. 161, n. 3, p. 191, doi. 10.1007/s11120-024-01107-4

By:

Keil, Erika;
Lokstein, Heiko;
Cogdell, Richard;
Hauer, Jürgen;
Zigmantas, Donatas;
Thyrhaug, Erling

Publication type:

Article

Signatures of intramolecular vibrational and vibronic Qx–Qy coupling effects in absorption and CD spectra of chlorophyll dimers.

Published in:

Photosynthesis Research, 2023, v. 156, n. 1, p. 19, doi. 10.1007/s11120-022-00946-3

By:

Seibt, Joachim;
Lindorfer, Dominik;
Renger, Thomas

Publication type:

Article

Intramolecular vibrations enhance the quantum efficiency of excitonic energy transfer.

Published in:

Photosynthesis Research, 2020, v. 144, n. 2, p. 137, doi. 10.1007/s11120-020-00742-x

By:

Duan, Hong-Guang;
Nalbach, Peter;
Miller, R. J. Dwayne;
Thorwart, Michael

Publication type:

Article

Size-dependent optical properties of [6]-, [8]- and [10]Cycloparaphenylene dications: the role of degenerate states.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 4, p. 1, doi. 10.1007/s00214-024-03106-z

By:

Kakarlamudi, Akhil Chakravarthy;
Nag, Probal;
Vennapusa, Sivaranjana Reddy

Publication type:

Article

Vibronic absorption spectrum and electronic properties of azure C in aqueous solution: TD-DFT study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 8, p. 1, doi. 10.1007/s00214-021-02808-y

By:

Kostjukova, Lyudmila O.;
Leontieva, Svetlana V.;
Kostjukov, Victor V.

Publication type:

Article

The nature of the chemical bond in NO3, neutral and anion.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2563-6

By:

Kalemos, Apostolos

Publication type:

Article

Competing ultrafast photoinduced electron transfer and intersystem crossing of [Re(CO)3(Dmp)(His124)(Trp122)]+ in Pseudomonas aeruginosa azurin: a nonadiabatic dynamics study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2555-6

By:

Mai, Sebastian;
Menger, Maximilian F. S. J.;
Marazzi, Marco;
Stolba, Dario L.;
Monari, Antonio;
González, Leticia

Publication type:

Article

Modes of wall induced granular crystallisation in vibrational packing.

Published in:

Granular Matter, 2019, v. 21, n. 2, p. 1, doi. 10.1007/s10035-019-0876-8

By:

Dai, Weijing;
Reimann, Joerg;
Hanaor, Dorian;
Ferrero, Claudio;
Gan, Yixiang

Publication type:

Article

Unraveling Electronic and Vibrational Coherences Following a Charge Transfer Process in a Photosystem II Reaction Center.

Published in:

Photonics, 2024, v. 11, n. 6, p. 519, doi. 10.3390/photonics11060519

By:

Zhou, Junhua;
Zhang, Xuanchao;
Tiwari, Vandana;
Mei, Chao;
Jha, Ajay;
Zhang, Pan-Pan;
Duan, Hong-Guang

Publication type:

Article

Vibro-acoustic response of sandwich plates with functionally graded core.

Published in:

Acta Mechanica, 2017, v. 228, n. 8, p. 2775, doi. 10.1007/s00707-015-1513-1

By:

Chandra, N.;
Nagendra Gopal, K.;
Raja, S.

Publication type:

Article

Minimal spin-3/2 dark matter in a simple s-channel model.

Published in:

European Physical Journal C -- Particles & Fields, 2017, v. 77, n. 1, p. 1, doi. 10.1140/epjc/s10052-016-4589-4

By:

Khojali, Mohammed Omer;
Goyal, Ashok;
Kumar, Mukesh;
Cornell, Alan S.

Publication type:

Article

Unit vector template control strategy‐based harmonic mitigation and charging with three phase–three level–three switch Vienna rectifier for Level 3 electric vehicle charging applications.

Published in:

International Journal of Circuit Theory & Applications, 2024, v. 52, n. 6, p. 2889, doi. 10.1002/cta.3904

By:

Kalichikadu Paramasivam, Suresh;
Ramu, Senthil Kumar;
Cholamuthu, Pazhanimuthu

Publication type:

Article

Ultra-photostable small-molecule dyes facilitate near-infrared biophotonics.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-46853-0

By:

Yan, Kui;
Hu, Zhubin;
Yu, Peng;
He, Zuyang;
Chen, Ying;
Chen, Jiajian;
Sun, Haitao;
Wang, Shangfeng;
Zhang, Fan

Publication type:

Article

Resonating holes vs molecular spin-orbit coupled states in group-5 lacunar spinels.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-40811-y

By:

Petersen, Thorben;
Bhattacharyya, Pritam;
Rößler, Ulrich K.;
Hozoi, Liviu

Publication type:

Article

Effects of Donor Substitution on Vibronic Instability in Oxomolybdenum Dichalcogenolenes.

Published in:

New Mexico Journal of Science, 2017, v. 51, n. 1, p. 43

By:

JING YANG

Publication type:

Article

Tuning the Proton‐Coupled Electron‐Transfer Rate by Ligand Modification in Catalyst–Dye Supramolecular Complexes for Photocatalytic Water Splitting.

Published in:

ChemSusChem, 2021, v. 14, n. 1, p. 479, doi. 10.1002/cssc.202001863

By:

Yang;
Groot, Huub J. M.;
Buda, Francesco

Publication type:

Article

Comparison among several vibronic coupling methods.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 9, p. 1, doi. 10.1007/s00894-022-05230-8

By:

Torres, Amanda D.;
de Moura, Carlos E. V.;
Oliveira, Ricardo R.;
Rocha, Alexandre B.

Publication type:

Article

Acriflavine in aqueous solution: excitation and hydration.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 7, p. 1, doi. 10.1007/s00894-022-05182-z

By:

Kostjukov, Victor

Publication type:

Article

Coumarin 343 in aqueous solution: theoretical analysis of absorption.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 5, p. 1, doi. 10.1007/s00894-022-05122-x

By:

Savenko, Evgeniy S.;
Kostjukov, Victor V.

Publication type:

Article

Calculation of the Jahn-Teller parameters with DFT.

Published in:

Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 779, doi. 10.2298/JSC190510064Z

By:

ZLATAR, MATIJA;
GRUDEN, MAJA

Publication type:

Article

Vibronic and spin-orbit coupling effects in the absorption spectra of pyrazine: A quantum chemical approach.

Published in:

Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 819, doi. 10.2298/JSC190510048D

By:

DINKELBACH, FABIAN;
MARIAN, CHRISTEL M.

Publication type:

Article

Variational calculation of the vibronic spectrum in the X 2Πu electronic state of C6-.

Published in:

Journal of the Serbian Chemical Society, 2018, v. 83, n. 1, p. 1, doi. 10.2298/JSC171129001M

By:

MITIĆ, MARKO;
MILOVANOVIĆ, MILAN;
RANKOVIĆ, RADOMIR;
JEROSIMIĆ, STANKA;
PERIĆ, MILJENKO

Publication type:

Article

Theoretical–Computational Modeling of CD Spectra of Aqueous Monosaccharides by Means of Molecular Dynamics Simulations and Perturbed Matrix Method.

Published in:

Molecules, 2023, v. 28, n. 8, p. 3591, doi. 10.3390/molecules28083591

By:

Aschi, Massimiliano;
Palombi, Laura;
Amadei, Andrea

Publication type:

Article

Photodynamics of the Molecular Ruby [Cr(ddpd) 2 ] 3+.

Published in:

Molecules, 2023, v. 28, n. 4, p. 1668, doi. 10.3390/molecules28041668

By:

Zobel, J. Patrick;
Radatz, Hanna;
González, Leticia

Publication type:

Article

Optical Spectra of Oligofurans: A Theoretical Approach to the Transition Energies, Reorganization Energies, and the Vibronic Activity.

Published in:

Molecules, 2021, v. 26, n. 23, p. 7163, doi. 10.3390/molecules26237163

By:

Filipowska, Karolina;
Pawlikowski, Marek T.;
Andrzejak, Marcin

Publication type:

Article

Quantum Chemical Study Aimed at Modeling Efficient Aza-BODIPY NIR Dyes: Molecular and Electronic Structure, Absorption, and Emission Spectra.

Published in:

Molecules, 2020, v. 25, n. 22, p. 5361, doi. 10.3390/molecules25225361

By:

Pogonin, Alexander E.;
Shagurin, Artyom Y.;
Savenkova, Maria A.;
Telegin, Felix Yu.;
Marfin, Yuriy S.;
Vashurin, Arthur S.;
Butman, Mikhail F.;
Koifman, Oscar I.;
Arena, Giuseppe

Publication type:

Article

Vibrational Dynamics of Crystalline 4-Phenylbenzaldehyde from INS Spectra and Periodic DFT Calculations.

Published in:

Molecules, 2020, v. 25, n. 6, p. 1374, doi. 10.3390/molecules25061374

By:

Nolasco, Mariela M.;
Araujo, Catarina F.;
Vaz, Pedro D.;
Amado, Ana M.;
Ribeiro-Claro, Paulo

Publication type:

Article

Excited State Frequencies of Chlorophyll f and Chlorophyll a and Evaluation of Displacement through Franck-Condon Progression Calculations.

Published in:

Molecules, 2019, v. 24, n. 7, p. 1326, doi. 10.3390/molecules24071326

By:

Zamzam, Noura;
van Thor, Jasper J.;
Fang, Chong

Publication type:

Article

Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates.

Published in:

Molecules, 2019, v. 24, n. 3, p. 541, doi. 10.3390/molecules24030541

By:

Nakano, Masayoshi;
Okada, Kenji;
Nagami, Takanori;
Tonami, Takayoshi;
Kishi, Ryohei;
Kitagawa, Yasutaka

Publication type:

Article

How and How Much Molecular Conformation Affects Electronic Circular Dichroism: The Case of 1,1-Diarylcarbinols.

Published in:

Molecules, 2018, v. 23, n. 1, p. 128, doi. 10.3390/molecules23010128

By:

Padula, Daniele;
Pescitelli, Gennaro

Publication type:

Article

Average Energies of Combining States and Purely Electronic Transition Frequencies in Vibronic Spectra.

Published in:

Journal of Applied Spectroscopy, 2018, v. 85, n. 5, p. 845, doi. 10.1007/s10812-018-0727-0

By:

Tolkachev, V. A.

Publication type:

Article

Multimode orbital angular momentum antenna based on four-arm planar spiral.

Published in:

Electronics Letters (Wiley-Blackwell), 2019, v. 55, n. 16, p. 875, doi. 10.1049/el.2019.1606

By:

Ziqiang Yi;
Shuai Tian;
Yafei Liu;
Sibo Xiao;
Hongyan Tang;
Kai Kang;
Yunqiu Wu

Publication type:

Article

Theoretical investigations on the vibronic coupling effect and NBO Studies of Stability on the GeX2 (X=F, Cl, and Br) molecules.

Published in:

International Journal of New Chemistry, 2024, v. 11, n. 1, p. 34, doi. 10.22034/ijnc.2023.2007984.1352

By:

Mahmoudzadeh, Golrokh;
Kouchakzadeh, Ghazaleh

Publication type:

Article

Thermodynamic Fluorescence Behavior of a Fluorenone Derivative through Solvent‐ and Temperature‐Controlled Hydrogen Bonding.

Published in:

ChemPhotoChem, 2025, v. 9, n. 2, p. 1, doi. 10.1002/cptc.202400314

By:

Lee, Jineun;
Sakaguchi, Toshikazu;
Kwak, Giseop

Publication type:

Article

Improving Photophysical Properties of Deazaflavin Derivatives by Acrylaldehyde Bridging: A Theoretical Investigation.

Published in:

ChemPhotoChem, 2024, v. 8, n. 11, p. 1, doi. 10.1002/cptc.202400053

By:

Guo, Huimin;
Liu, Siyu;
Liu, Xin;
Zhao, Jianzhang

Publication type:

Article

Strategies to Enhance the Rate of Proton‐Coupled Electron Transfer Reactions in Dye‐Water Oxidation Catalyst Complexes.

Published in:

ChemPhotoChem, 2023, v. 7, n. 3, p. 1, doi. 10.1002/cptc.202200274

By:

de Haas, Titus;
van Overeem, Hannah;
de Groot, Huub J. M.;
Buda, Francesco

Publication type:

Article

Fine‐Tuning the Photophysics of Donor‐Acceptor (D‐A3) Thermally Activated Delayed Fluorescence Emitters Using Isomerisation.

Published in:

ChemPhotoChem, 2023, v. 7, n. 2, p. 1, doi. 10.1002/cptc.202200248

By:

L. dos Santos, Paloma;
de Sa Pereira, Daniel;
Eng, Julien;
Ward, Jonathan S.;
Bryce, Martin R.;
Penfold, Thomas J.;
Monkman, Andrew P.

Publication type:

Article

An NV− center in magnesium oxide as a spin qubit for hybrid quantum technologies.

Published in:

NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01558-w

By:

Somjit, Vrindaa;
Davidsson, Joel;
Jin, Yu;
Galli, Giulia

Publication type:

Article

Correlated driving‐and‐dissipation equation for non‐Condon spectroscopy with the Herzberg–Teller vibronic coupling.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 662, doi. 10.1002/jccs.202200222

By:

Fang, Jie;
Chen, Zi‐Hao;
Wang, Yao;
Xu, Rui‐Xue;
Yan, YiJing

Publication type:

Article

Vibration‐induced symmetry breaking in hybrid light‐matter dimer states.

Published in:

Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 655, doi. 10.1002/jccs.202200162

By:

Shen, Chih‐En;
Hsu, Sheng‐Chieh;
Tsai, Hung‐Sheng;
Hsu, Liang‐Yan

Publication type:

Article

Effect of Anchoring Dynamics on Proton‐Coupled Electron Transfer in the Ru(bda) Coordination Oligomer on a Graphitic Surface.

Published in:

ChemPlusChem, 2024, v. 89, n. 8, p. 1, doi. 10.1002/cplu.202400082

By:

Calvani, Dario;
Louwersheimer, Rick;
Buda, Francesco

Publication type:

Article

Elucidating the origins of multimode vibrational coherences of polyatomic molecules induced by intense laser fields.

Published in:

Nature Communications, 2017, v. 8, n. 1, p. 1, doi. 10.1038/s41467-017-00848-2

By:

Zhengrong Wei;
Jialin Li;
Lin Wang;
Soo Teck See;
Hyunpong Jhon, Mark;
Yingfeng Zhang;
Fan Shi;
Minghui Yang;
Zhi-Heng Loh

Publication type:

Article

Recognition of Spatial Distribution of CNT and Graphene in Hybrid Structure by Mapping with Coherent Anti-Stokes Raman Microscopy.

Published in:

Nanoscale Research Letters, 2020, v. 15, n. 1, p. 1, doi. 10.1186/s11671-020-3264-8

By:

Paddubskaya, Alesia;
Rutkauskas, Danielis;
Karpicz, Renata;
Dovbeshko, Galina;
Nebogatikova, Nadezhda;
Antonova, Irina;
Dementjev, Andrej

Publication type:

Article

Pseudo-Jahn-Teller effects in two-dimensional silicene, germanene and stanene: a crystal orbital vibronic coupling density analysis.

Published in:

Bulletin of Materials Science, 2018, v. 41, n. 5, p. 1, doi. 10.1007/s12034-018-1634-y

By:

Ghosh, Maitrayee;
Datta, Ayan

Publication type:

Article

Computational Investigation of the Pseudo Jahn–Teller Effect on the Structure and Chemical Properties of Perhaloethene Anions.

Published in:

Journal of Structural Chemistry, 2019, v. 60, n. 5, p. 736, doi. 10.1134/S0022476619050056

By:

Mahmoudzadeh, G.;
Ghiasi, R.;
Pasdar, H.

Publication type:

Article

Finite‐time synchronization of network systems with linear and nonlinear couplings via quantized intermittent‐adaptive control.

Published in:

IET Control Theory & Applications (Wiley-Blackwell), 2023, v. 17, n. 8, p. 1031, doi. 10.1049/cth2.12439

By:

Yan, Jie;
Zhang, Wanli;
Feng, Ji

Publication type:

Article

Role of Dopants on the Local Electronic Structure of Polymeric Carbon Nitride Photocatalysts.

Published in:

Small Methods, 2021, v. 5, n. 2, p. 1, doi. 10.1002/smtd.202000707

By:

Ren, Jian;
Lin, Lihua;
Lieutenant, Klaus;
Schulz, Christian;
Wong, Deniz;
Gimm, Thorren;
Bande, Annika;
Wang, Xinchen;
Petit, Tristan

Publication type:

Article