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Literature DB >> 10061664

Excitation energies from time-dependent density-functional theory.

Abstract

Year: 1996 PMID： 10061664 DOI： 10.1103/PhysRevLett.76.1212

Source DB: PubMed Journal: Phys Rev Lett ISSN： 0031-9007 Impact factor: 9.161

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32 in total

1. The implementation of a self-consistent constricted variational density functional theory for the description of excited states.

Authors: Tom Ziegler; Mykhaylo Krykunov; John Cullen
Journal: J Chem Phys Date: 2012-03-28 Impact factor: 3.488

2. Synthesis, Spectroscopic Characterization and DFT/TD-DFT Calculations of new Fluorescent Derivatives of Imidazo[4',5':3,4]Benzo[c]Isoxazole.

Authors: Shirin Ramezani; Mehdi Pordel; Safarali Beyramabadi
Journal: J Fluoresc Date: 2015-12-09 Impact factor: 2.217

3. Stabilizing triplet excited states for ultralong organic phosphorescence.

Authors: Zhongfu An; Chao Zheng; Ye Tao; Runfeng Chen; Huifang Shi; Ting Chen; Zhixiang Wang; Huanhuan Li; Renren Deng; Xiaogang Liu; Wei Huang
Journal: Nat Mater Date: 2015-04-06 Impact factor: 43.841

4. Estimation of the thermal and photochemical stabilities of pheromones.

Authors: F N Tomilin; A S Fedorov; P V Artyushenko; S G Ovchinnikov; T M Ovchinnikova; P E Tsikalova; V G Soukhovolsky
Journal: J Mol Model Date: 2018-10-24 Impact factor: 1.810

5. Pyrazole, Imidazole, and Isoindolone Dipyrrinone Analogues: pH-Dependent Fluorophores That Red-Shift Emission Frequencies in a Basic Solution.

Authors: Nicole Benson; Olabisi Suleiman; Samuel O Odoh; Zachary R Woydziak
Journal: J Org Chem Date: 2019-09-05 Impact factor: 4.354

Excitation energies from time-dependent density-functional theory.

1. The implementation of a self-consistent constricted variational density functional theory for the description of excited states.

2. Synthesis, Spectroscopic Characterization and DFT/TD-DFT Calculations of new Fluorescent Derivatives of Imidazo[4',5':3,4]Benzo[c]Isoxazole.

3. Stabilizing triplet excited states for ultralong organic phosphorescence.

4. Estimation of the thermal and photochemical stabilities of pheromones.

5. Pyrazole, Imidazole, and Isoindolone Dipyrrinone Analogues: pH-Dependent Fluorophores That Red-Shift Emission Frequencies in a Basic Solution.

6. Theoretical insight on novel donor-acceptor exTTF-based dyes for dye-sensitized solar cells.

7. A new fluorescent chemosensor for fluoride anion based on a pyrrole-isoxazole derivative.

8. Calculations of BODIPY dyes in the ground and excited states using the M06-2X and PBE0 functionals.

9. Tunable plasmons in regular planar arrays of graphene nanoribbons with armchair and zigzag-shaped edges.

10. Computational Modeling Predicts the Stability of Both Pd⁺ and Pd²⁺ Ion-Exchanged into H-CHA.