Works matching DE "FRANCK-Condon principle"

Results: 101

A Red‐Light‐Driven CO‐Releasing Complex: Photoreactivities and Excited‐State Dynamics of Highly Distorted Tricarbonyl Rhenium Phthalocyanines.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 48, p. 1, doi. 10.1002/chem.202200716

By:

Wang, Mengfei;
Murata, Kei;
Koike, Yosuke;
Jonusauskas, Gediminas;
Furet, Amaury;
Bassani, Dario M.;
Saito, Daisuke;
Kato, Masako;
Shimoda, Yuushi;
Miyata, Kiyoshi;
Onda, Ken;
Ishii, Kazuyuki

Publication type:

Article

Vibrationally-resolved excitation and dissociation collision strengths of AlO+ by electron-impact using the R-matrix method.

Published in:

European Physical Journal D (EPJ D), 2019, v. 73, n. 7, p. N.PAG, doi. 10.1140/epjd/e2019-90581-6

By:

Kaur, Savinder;
Baluja, Kasturi Lal;
Singh, Jasmeet;
Bharadvaja, Anand

Publication type:

Article

Two-step excitation of Rb atoms on He nanodroplets.

Published in:

European Physical Journal D (EPJ D), 2011, v. 61, n. 2, p. 403, doi. 10.1140/epjd/e2010-10504-5

By:

Theisen, M.;
Lackner, F.;
Ancilotto, F.;
Callegari, C.;
Ernst, W. E.

Publication type:

Article

A new semiclassical initial value method for Franck-Condon spectra.

Published in:

Molecular Physics, 1996, v. 87, n. 4, p. 961, doi. 10.1080/00268979600100651

By:

Walton, Andrew R.;
Manolopoulos, David E.

Publication type:

Article

The diatomic molecular spectroscopy database.

Published in:

Journal of Cheminformatics, 2020, v. 12, n. 1, p. 1, doi. 10.1186/s13321-020-00433-8

By:

Liu, Xiangyue;
Truppe, Stefan;
Meijer, Gerard;
Pérez-Ríos, Jesús

Publication type:

Article

Selected Aspects Concerning the Efficient Calculation of Vibrational Spectra beyond the Harmonic Approximation.

Published in:

Croatica Chemica Acta, 2012, v. 85, n. 4, p. 380, doi. 10.5562/cca2149

By:

Oschetzki, Dominik;
Neff, Michael;
Meier, Patrick;
Pfeiffer, Florian;
Rauhut, Guntram

Publication type:

Article

Valence Photoionization of Thymine: Ionization Energies, Vibrational Structure, and Fragmentation Pathways from the Slow to the Ultrafast.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 62, p. 14192, doi. 10.1002/chem.201903282

By:

Majer, Katharina;
Signorell, Ruth;
Heringa, Maarten F.;
Goldmann, Maximilian;
Hemberger, Patrick;
Bodi, Andras

Publication type:

Article

Unraveling Ultrafast Photoinduced Proton Transfer Dynamics in a Fluorescent Protein Biosensor for Ca2+ Imaging.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 17, p. 6481, doi. 10.1002/chem.201500491

By:

Tang, Longteng;
Liu, Weimin;
Wang, Yanli;
Zhao, Yongxin;
Oscar, Breland G.;
Campbell, Robert E.;
Fang, Chong

Publication type:

Article

Computational simulation of vibrationally resolved spectra for spin‐forbidden transitions.

Published in:

Chirality, 2018, v. 30, n. 7, p. 850, doi. 10.1002/chir.22864

By:

Egidi, Franco;
Fusè, Marco;
Baiardi, Alberto;
Bloino, Julien;
Li, Xiaosong;
Barone, Vincenzo

Publication type:

Article

New Developments of a Multifrequency Virtual Spectrometer: Stereo-Electronic, Dynamical, and Environmental Effects on Chiroptical Spectra.

Published in:

Chirality, 2014, v. 26, n. 9, p. 228, doi. 10.1002/chir.22325

By:

Barone, Vincenzo;
Baiardi, Alberto;
Bloino, Julien

Publication type:

Article

The influence of terminal substituents of diphenylbutadiene on the parameters of intra- and intermolecular interactions.

Published in:

Optics & Spectroscopy, 2017, v. 122, n. 4, p. 615, doi. 10.1134/S0030400X17040129

By:

Kompaneets, V.;
Vasil'eva, I.

Publication type:

Article

Photophysical properties of porphyrins with sterically distorted and partially screened macrocycles.

Published in:

Optics & Spectroscopy, 2015, v. 118, n. 6, p. 882, doi. 10.1134/S0030400X15060107

By:

Ivashin, N.;
Shchupak, E.;
Panarin, A.;
Sagun, E.

Publication type:

Article

Calculation and interpretation of vibronic absorption and fluorescence spectra of the first electronic nπ* transitions of pyridine and pyrimidine.

Published in:

Optics & Spectroscopy, 2014, v. 117, n. 5, p. 713, doi. 10.1134/S0030400X14100221

By:

Ten, G.;
Kadrov, D.;
Berezin, M.;
Baranov, V.

Publication type:

Article

Comparative analysis of intramolecular interactions in trans-stilbene and 1,4-distyrylbenzene.

Published in:

Optics & Spectroscopy, 2013, v. 114, n. 1, p. 60, doi. 10.1134/S0030400X13010165

By:

Kompaneets, V.;
Vasil'eva, I.

Publication type:

Article

Calculation of spectroscopic constants and radiative parameters for the AΣ- XΣ and BΠ- XΣ electronic transitions of the lithium dimer.

Published in:

Optics & Spectroscopy, 2012, v. 113, n. 4, p. 345, doi. 10.1134/S0030400X12080176

By:

Smirnov, A.

Publication type:

Article

Experimental determination and interpretation of fluorescence and fluorescence excitation spectra of 1,2-benzanthracene cooled in supersonic jet.

Published in:

Optics & Spectroscopy, 2011, v. 110, n. 5, p. 686, doi. 10.1134/S0030400X11040060

By:

Borisevich, N.;
Dyachenko, G.;
Petukhov, V.;
Polishchuk, D.;
Semenov, M.

Publication type:

Article

Manifestation of the vibronic analogue of the Fermi resonance in quasi-line spectra of porphyrins: Experiment and theoretical analysis.

Published in:

Optics & Spectroscopy, 2007, v. 102, n. 5, p. 692, doi. 10.1134/S0030400X07050086

By:

Arabei, S. M.;
Kuzmitsky, V. A.;
Solovyov, K. N.

Publication type:

Article

Fine-structure spectroscopy of 2-methylnaphthalene cooled in a supersonic jet.

Published in:

Optics & Spectroscopy, 2006, v. 101, n. 5, p. 683, doi. 10.1134/S0030400X06110063

By:

Borisevich, N. A.;
D’yachenko, G. G.;
Petukhov, V. A.;
Semenov, M. A.

Publication type:

Article

A general analytical expression for the two-dimensional Franck-Condon integral and simulation of the photoelectron spectra of nitrogen dioxide.

Published in:

Molecular Physics, 2011, v. 109, n. 13, p. 1727, doi. 10.1080/00268976.2011.587461

By:

Liang, Jun;
Wang, Ruijun;
Liang, Xiuyuan;
Liu, Yitao;
Pan, Chao;
Yang, Feng;
Cui, Zhifeng

Publication type:

Article

Competition between reaction channels in electron collisions of vibrationally excited [image omitted].

Published in:

Molecular Physics, 2010, v. 108, n. 16, p. 2093, doi. 10.1080/00268976.2010.505211

By:

Varlan, Aurica;
Duca, Mariana;
Fifirig, Magda

Publication type:

Article

Computationally efficient recurrence relations for one-dimensional Franck-Condon overlap integrals.

Published in:

Molecular Physics, 2010, v. 108, n. 11, p. 1513, doi. 10.1080/00268971003762142

By:

Schmidt, P. P.

Publication type:

Article

Franck-Condon profiles in photodetachment-photoelectron spectra of [image omitted] and [image omitted] based on vibrational configuration interaction wavefunctions.

Published in:

Molecular Physics, 2010, v. 108, n. 3/4, p. 409, doi. 10.1080/00268970903521178

By:

Huh, Joonsuk;
Neff, Michael;
Rauhut, Guntram;
Berger, Robert

Publication type:

Article

An algebraic formula to calculate the three-dimensional Franck-Condon factors including the Duschinsky effect.

Published in:

Molecular Physics, 2009, v. 107, n. 23/24, p. 2601, doi. 10.1080/00268970903468289

By:

Jun Liang;
Chengfeng Liu;
Chunchun Wang;
Zhifeng Cui

Publication type:

Article

Exact evaluation of the multidimensional Franck-Condon integrals based on the contour integral method.

Published in:

Molecular Physics, 2007, v. 105, n. 13/14, p. 1903, doi. 10.1080/00268970701463276

By:

Jun Liang;
Haiyan Zheng;
Xiaowei Zhang;
Renzhong Li;
Zhifeng Cui

Publication type:

Article

Franck-Condon factors for polyatomic molecules.

Published in:

Molecular Physics, 2003, v. 101, n. 13, p. 2125, doi. 10.1080/0026897031000109310

By:

Weber, Johannes;
Hohlneicher, Georg

Publication type:

Article

Study on the (1, 2) and (2, 3) bands in the comet-tail system of [sup 12]C[sup 16]O[sup +] by optical heterodyne magnetic rotation enhanced velocity modulation spectroscopy.

Published in:

Molecular Physics, 2001, v. 99, n. 17, p. 1447, doi. 10.1080/00268970110062288

By:

Zhuang, Hua;
Yang, Xiaohua;
Wu, Shenghai;
Bi, Zhiyi;
Longsheng;
Liu, Yuyan;
Chen, Yangqin

Publication type:

Article

The r-centroid concept revisited.

Published in:

Canadian Journal of Physics, 2001, v. 79, n. 2/3, p. 611, doi. 10.1139/p01-017

By:

Nicholls, R.W.;
Amani, M.;
Mandelman, M.

Publication type:

Article

Low-lying electronic states of CuBr.

Published in:

Canadian Journal of Physics, 2001, v. 79, n. 2/3, p. 299, doi. 10.1139/p00-107

By:

Hirao, T.;
Bernath, P.F.

Publication type:

Article

Multiphonon Relaxation of the 1s(T2) States of a Singly Ionized Selenium Donor in Silicon.

Published in:

Semiconductors, 2020, v. 54, n. 9, p. 1112, doi. 10.1134/S1063782620090043

By:

Bekin, N. A.

Publication type:

Article

Molecular Mechanism of Diaminomaleonitrile to Diaminofumaronitrile Photoisomerization: An Intermediate Step in the Prebiotic Formation of Purine Nucleobases.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 9, p. 2515, doi. 10.1002/chem.201304224

By:

Szabla, Rafał;
Góra, Robert W.;
Šponer, Jiří;
Šponer, Judit E.

Publication type:

Article

Mechanistic Investigations on the Photoisomerization Reactions of 1,2-Dihydro-1,2-Azaborine.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 29, p. 9663, doi. 10.1002/chem.201204537

By:

Su, Ming‐Der

Publication type:

Article

On the electronic spectroscopy of closed-shell cations derived from resonance-stabilized radicals: Insights from theory and Franck-Condon analysis.

Published in:

Astronomy & Astrophysics / Astronomie et Astrophysique, 2012, v. 541, p. 1, doi. 10.1051/0004-6361/201218813

By:

Troy, T. P.;
Kable, S. H.;
Schmidt, T. W.;
Reid, S. A.

Publication type:

Article

Evidence of exciton-libron coupling in chirally adsorbed single molecules.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-33653-7

By:

Doležal, Jiří;
Canola, Sofia;
Hapala, Prokop;
de Campos Ferreira, Rodrigo Cezar;
Merino, Pablo;
Švec, Martin

Publication type:

Article

Franck-Condon factors using supervised artificial neural networks. I. The CF cation.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 6, p. 1, doi. 10.1007/s00894-014-2300-y

By:

Sandoval, Lourdes;
Amero, José;
Vazquez, Gabriel;
Palma, Alejandro

Publication type:

Article

Electron transfer rates and Franck–Condon factors: an application to the early electron transfer steps in photosynthetic reaction centers.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 5/6, p. 957, doi. 10.1007/s00214-006-0215-0

By:

Borrelli, Raffaele;
Di Donato, Mariangela;
Peluso, Andrea

Publication type:

Article

Tailoring model Hamiltonians for dihalogen—rare gas matrix problems.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 4, p. 521, doi. 10.1007/s00214-006-0177-2

By:

Borowski, A.;
Kühn, O.

Publication type:

Article

Ab initio study of structures and energies of Al2H4 and Al2H.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 4, p. 291, doi. 10.1007/s00214-005-0015-y

By:

Shan Xi Tian

Publication type:

Article

Quantum–Classical Mechanics: Nano-Resonance in Polymethine Dyes †.

Published in:

Mathematics (2227-7390), 2022, v. 10, n. 9, p. 1443, doi. 10.3390/math10091443

By:

Egorov, Vladimir V.

Publication type:

Article

Coherent electron-nuclear coupling in oligothiophene molecular wires.

Published in:

Nature Physics, 2010, v. 6, n. 12, p. 975, doi. 10.1038/nphys1802

By:

Repp, Jascha;
Liljeroth, Peter;
Meyer, Gerhard

Publication type:

Article

Vibrational analysis of Fourier transform spectrum of the ${\boldsymbol B}^{\bf 3}{\boldsymbol \Sigma} _{\boldsymbol u}^-({\bf 0}_{\boldsymbol u}^{\bf +} )$- ${\boldsymbol X}^{\bf 3}{\boldsymbol \Sigma} _{\boldsymbol g}^{\bf -} ({\bf 0}_{\boldsymbol g}^{\bf +} )$ transition of Se molecule

Published in:

Pramana: Journal of Physics, 2011, v. 76, n. 4, p. 591, doi. 10.1007/s12043-011-0006-6

By:

TANDON, PAVITRA;
SUNANDA, K;
DEO, M;
SAKSENA, M;
UTTAM, K

Publication type:

Article

Vibrational analysis of Fourier transform spectrum of the A³Π0-X¹Σ+ and B³Π1-X¹Σ+ transitions of indium monobromide.

Published in:

Pramana: Journal of Physics, 2009, v. 73, n. 5, p. 889, doi. 10.1007/s12043-009-0156-y

By:

Singh, Renu;
Uttam, K. N.;
Saksena, M. D.;
Deo, M. N.

Publication type:

Article

Optical Features of Aggregation‐Induced Emission in BODIPY With Isopropyl meso Group.

Published in:

Bulletin of the Korean Chemical Society, 2021, v. 42, n. 4, p. 567, doi. 10.1002/bkcs.12252

By:

Choi, Han Wool;
Lee, Uisung;
Song, Jae Kyu

Publication type:

Article

Ab initio MRCI+Q Investigations of Spectroscopic Properties of Several Low-lying Electronic States of S2+ Cation.

Published in:

Bulletin of the Korean Chemical Society, 2014, v. 35, n. 5, p. 1397, doi. 10.5012/bkcs.2014.35.5.1397

By:

Rui Li;
Zhen Zhai;
Xiaomei Zhang;
Tao Liu;
Mingxing Jin;
Haifeng Xu;
Bing Yan

Publication type:

Article

Molecular electronic spectroscopy: from often neglected fundamental principles to limitations of state-of-the-art computational methods.

Published in:

Coloration Technology, 2015, v. 131, n. 1, p. 9, doi. 10.1111/cote.12120

By:

Mustroph, Heinz;
Ernst, Steffen;
Senns, Bianca;
Towns, Andrew D.

Publication type:

Article

Occurrence of AlO Molecular Lines in Sunspot Umbral Spectra.

Published in:

Solar Physics, 2013, v. 286, n. 2, p. 315, doi. 10.1007/s11207-013-0264-1

By:

Sriramachandran, P.;
Viswanathan, B.;
Shanmugavel, R.

Publication type:

Article

Controlling the nonadiabatic electron-transfer reaction rate through molecular-vibration polaritons in the ultrastrong coupling regime.

Published in:

Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-62899-8

By:

Phuc, Nguyen Thanh;
Trung, Pham Quang;
Ishizaki, Akihito

Publication type:

Article

Dynamic Symmetry in Dozy-Chaos Mechanics.

Published in:

Symmetry (20738994), 2020, v. 12, n. 11, p. 1856, doi. 10.3390/sym12111856

By:

Egorov, Vladimir V.

Publication type:

Article

Potential energy curves, turning points, Franck–Condon factors and r-centroids for the astrophysically interesting S2 molecule.

Published in:

Astrophysics & Space Science, 2019, v. 364, n. 10, p. N.PAG, doi. 10.1007/s10509-019-3656-3

By:

da Silva, Ramon S.;
Ballester, Maikel Y.

Publication type:

Article

Astrophysically useful radiative transition parameters for the eΠ- XΣ and Σ- XΣ systems of zirconium oxide.

Published in:

Astrophysics & Space Science, 2011, v. 332, n. 2, p. 257, doi. 10.1007/s10509-010-0516-6

By:

Shanmugavel, R.;
Sriramachandran, P.

Publication type:

Article

Astrophysically Useful Parameters for Some Vibronic Transitions of AlH and BH.

Published in:

Astrophysics & Space Science, 2006, v. 306, n. 4, p. 231, doi. 10.1007/s10509-006-9261-2

By:

Karthikeyan, B.;
Raja, V.;
Rajamanickam, N.;
Bagare, S. P.

Publication type:

Article