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There are 24432 results for: content related to: Simulating Pump–Probe Photoelectron and Absorption Spectroscopy on the Attosecond Timescale with Time-Dependent Density Functional Theory

  1. Trajectory-Based Nonadiabatic Dynamics with Time-Dependent Density Functional Theory

    ChemPhysChem

    Volume 14, Issue 7, May 10, 2013, Pages: 1314–1340, Basile F. E. Curchod, Prof. Dr. Ursula Rothlisberger and Dr. Ivano Tavernelli

    Version of Record online : 29 APR 2013, DOI: 10.1002/cphc.201200941

  2. Time-Dependent Density Functional Theory for Calculating Origin-Independent Optical Rotation and Rotatory Strength Tensors

    ChemPhysChem

    Volume 12, Issue 17, December 9, 2011, Pages: 3224–3235, Prof. Dr. Jochen Autschbach

    Version of Record online : 21 SEP 2011, DOI: 10.1002/cphc.201100225

  3. Quantum Chemical Description of Absorption Properties and Excited-State Processes in Photosynthetic Systems

    ChemPhysChem

    Volume 13, Issue 2, February 2012, Pages: 386–425, Carolin König and Prof. Dr. Johannes Neugebauer

    Version of Record online : 7 NOV 2011, DOI: 10.1002/cphc.201100408

  4. Comprehensive Photophysical Behaviour of Ethynyl Fluorenes and Ethynyl Anthracenes Investigated by Fast and Ultrafast Time-Resolved Spectroscopy

    ChemPhysChem

    Volume 13, Issue 3, February 2012, Pages: 724–735, Dr. Benedetta Carlotti, Dr. Rebecca Flamini, Prof. Anna Spalletti, Dr. Assunta Marrocchi and Prof. Fausto Elisei

    Version of Record online : 27 JAN 2012, DOI: 10.1002/cphc.201100674

  5. Electron Correlation in Real Time

    ChemPhysChem

    Volume 13, Issue 3, February 2012, Pages: 661–680, Dr. Giuseppe Sansone, Dr. Thomas Pfeifer, Dr. Konstantinos Simeonidis and Dr. Alexander I. Kuleff

    Version of Record online : 8 DEC 2011, DOI: 10.1002/cphc.201100528

  6. Theoretical Shaping of Femtosecond Laser Pulses for Ultrafast Molecular Photo-Dissociation with Control Techniques Based on Time-Dependent Density Functional Theory

    ChemPhysChem

    Volume 14, Issue 7, May 10, 2013, Pages: 1488–1495, Alberto Castro

    Version of Record online : 26 MAR 2013, DOI: 10.1002/cphc.201201021

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    Density dynamics in some quantum systems

    International Journal of Quantum Chemistry

    Volume 113, Issue 13, 5 July 2013, Pages: 1747–1771, Munmun Khatua, Debdutta Chakraborty and Pratim Kumar Chattaraj

    Version of Record online : 20 FEB 2013, DOI: 10.1002/qua.24402

  8. Substituent Effect on the π Linkers in Triphenylamine Dyes for Sensitized Solar Cells: A DFT/TDDFT Study

    ChemPhysChem

    Volume 13, Issue 14, October 8, 2012, Pages: 3320–3329, Prof. Jie Xu, Ligen Zhu, Dong Fang, Biao Chen, Prof. Li Liu, Prof. Luoxin Wang and Prof. Weilin Xu

    Version of Record online : 4 JUL 2012, DOI: 10.1002/cphc.201200273

  9. Acene-Modified Triphenylamine Dyes for Dye-Sensitized Solar Cells: A Computational Study

    ChemPhysChem

    Volume 13, Issue 8, June 4, 2012, Pages: 2051–2060, Wenjie Fan, Dazhi Tan and Prof. Wei-Qiao Deng

    Version of Record online : 23 MAR 2012, DOI: 10.1002/cphc.201200064

  10. Excited States of Xanthene Analogues: Photofragmentation and Calculations by CC2 and Time-Dependent Density Functional Theory

    ChemPhysChem

    Dr. Alexander Jan Kulesza, Evgenii Titov, Dr. Steven Daly, Dr. Radosław Włodarczyk, Dr. Jörg Megow, Prof. Dr. Peter Saalfrank, Dr. Chang Min Choi, Dr. Luke MacAleese, Dr. Rodolphe Antoine and Dr. Philippe Dugourd

    Version of Record online : 18 AUG 2016, DOI: 10.1002/cphc.201600650

  11. Charge-Transfer Excitations and Time-Dependent Density Functional Theory: Problems and Some Proposed Solutions

    ChemPhysChem

    Volume 10, Issue 11, August 3, 2009, Pages: 1757–1760, Jochen Autschbach

    Version of Record online : 8 JUN 2009, DOI: 10.1002/cphc.200900268

  12. Two-Photon Absorption and Time-Resolved Stimulated Emission Depletion Spectroscopy of a New Fluorenyl Derivative

    ChemPhysChem

    Volume 13, Issue 15, October 22, 2012, Pages: 3481–3491, Prof. Kevin D. Belfield, Dr. Mykhailo V. Bondar, Alma R. Morales, Xiling Yue, Dr. Gheorghe Luchita, Dr. Olga V. Przhonska and Dr. Olexy D. Kachkovsky

    Version of Record online : 7 AUG 2012, DOI: 10.1002/cphc.201200405

  13. Three Modes of Proton Transfer in One Chromophore: Photoinduced Tautomerization in 2-(1H-Pyrazol-5-yl)Pyridines, Their Dimers and Alcohol Complexes

    ChemPhysChem

    Volume 13, Issue 16, November 12, 2012, Pages: 3661–3671, Volha Vetokhina, Dr. Krzysztof Dobek, Michał Kijak, Izabela I. Kamińska, Keven Muller, Prof. Werner R. Thiel, Prof. Jacek Waluk and Prof. Jerzy Herbich

    Version of Record online : 3 SEP 2012, DOI: 10.1002/cphc.201200602

  14. Plasmonic Trapping with a Gold Nanopillar

    ChemPhysChem

    Volume 13, Issue 11, August 6, 2012, Pages: 2639–2648, Dr. Kai Wang and Dr. Kenneth B. Crozier

    Version of Record online : 23 MAY 2012, DOI: 10.1002/cphc.201200121

  15. Wavefunction in Density Functional Theory Embedding for Excited States: Which Wavefunctions, which Densities?

    ChemPhysChem

    Volume 15, Issue 15, October 20, 2014, Pages: 3205–3217, Csaba Daday, Dr. Carolin König, Prof. Dr. Johannes Neugebauer and Prof. Dr. Claudia Filippi

    Version of Record online : 6 OCT 2014, DOI: 10.1002/cphc.201402459

    Corrected by:

    Corrigendum: Corrigendum: Wavefunction in Density Functional Theory Embedding for Excited States: Which Wavefunctions, which Densities?

    Vol. 15, Issue 18, 3892, Version of Record online: 2 DEC 2014

  16. Theoretical Shaping of Femtosecond Laser Pulses for Molecular Photodissociation with Control Techniques Based on Ehrenfest′s Dynamics and Time-Dependent Density Functional Theory

    ChemPhysChem

    Volume 17, Issue 11, June 3, 2016, Pages: 1601–1607, Dr. Alberto Castro

    Version of Record online : 31 MAR 2016, DOI: 10.1002/cphc.201600077

  17. Subsystem-Based Theoretical Spectroscopy of Biomolecules and Biomolecular Assemblies

    ChemPhysChem

    Volume 10, Issue 18, December 21, 2009, Pages: 3148–3173, Johannes Neugebauer

    Version of Record online : 12 NOV 2009, DOI: 10.1002/cphc.200900538

  18. Femtochemistry of trans-Azomethane: A Combined Experimental and Theoretical Study

    ChemPhysChem

    Volume 4, Issue 5, May 16, 2003, Pages: 445–456, Eric W.-G. Diau and Ahmed H. Zewail

    Version of Record online : 9 MAY 2003, DOI: 10.1002/cphc.200200579

  19. Ultrafast Dynamics of UV-Excited Imidazole

    ChemPhysChem

    Volume 12, Issue 17, December 9, 2011, Pages: 3365–3375, Dr. Rachel Crespo-Otero, Dr. Mario Barbatti, Hui Yu, Nicholas L. Evans and Dr. Susanne Ullrich

    Version of Record online : 8 SEP 2011, DOI: 10.1002/cphc.201100453

  20. Phosphorescence Energies of Organic Light-Emitting Diodes from Spin-Flip Tamm–Dancoff Approximation Time-Dependent Density Functional Theory

    ChemPhysChem

    Volume 12, Issue 17, December 9, 2011, Pages: 3331–3336, Michael Kühn and Dr. Florian Weigend

    Version of Record online : 18 AUG 2011, DOI: 10.1002/cphc.201100310