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■ Search Result - Abbreviation : TDDFT

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Abbreviation: TDDFT
Appearance Frequency: 2029 time(s)
Long forms: 13

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Long Form No. Long Form Research Area Co-occurring Abbreviation PubMed/MEDLINE Info. (Year, Title)
time-dependent density functional theory
(2009 times)
Chemistry
(1445 times)
DFT (375 times)
ECD (76 times)
CT (63 times)
2001 Electronic spectra and ionization potentials of a stable class of closed shell polycyclic aromatic hydrocarbon cations.
time-dependent density functional calculations
(4 times)
Nanotechnology
(2 times)
CASSCF (1 time)
CO (1 time)
EET (1 time)
2014 Photophysics of threaded sp-carbon chains: the polyyne is a sink for singlet and triplet excitation.
time-dependent DFT computations
(3 times)
Chemistry
(3 times)
DFT (2 times)
MCD (1 time)
VT (1 time)
2017 Observation of the Strong Electronic Coupling in Near-Infrared-Absorbing Tetraferrocene aza-Dipyrromethene and aza-BODIPY with Direct Ferrocene-alpha- and Ferrocene-beta-Pyrrole Bonds: Toward Molecular Machinery with Four-Bit Information Storage Capacity.
time-dependent version of DFT
(3 times)
Chemistry
(2 times)
DFT (3 times)
GOK (1 time)
GPUs (1 time)
2012 Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project.
time-dependent version of the density functional theory
(2 times)
Chemistry
(2 times)
HAT (1 time)
SPLET (1 time)
2013 Density functional predictions of antioxidant activity and UV spectral features of nasutin A, isonasutin, ellagic acid, and one of its possible derivatives.
TDDFT-TDA or KS-TDA
(1 time)
CIC-TDA (1 time)
KS (1 time)
LR (1 time)
2014 Configuration Interaction-Corrected Tamm-Dancoff Approximation: A Time-Dependent Density Functional Method with the Correct Dimensionality of Conical Intersections.
time dependent form
(1 time)
Chemistry
(1 time)
DFT (1 time)
2001 Spectrothermodynamic relationship of cationic vs anionic species derived from protonation vs deprotonation of pyrrolo-aza-aromatic bases in homologous series.
time-dependent density functional response theory
(1 time)
Molecular Biology
(1 time)
CT (1 time)
D-A (1 time)
NLO (1 time)
2010 Prediction of robustly large molecular second-order nonlinear optical properties of terpyridine-substituted hexamolybdates: structural modelling towards a rational entry to NLO materials.
Time-dependent DF theory
(1 time)
Molecular Biology
(1 time)
DF (1 time)
HOMO (1 time)
2004 Computational investigation of the vibrational and electronic states of S2N2.
10  time-dependent DFT framework
(1 time)
Chemistry
(1 time)
--- 2006 Spectroscopic properties of porphyrin-like photosensitizers: insights from theory.
11  time-dependent formulation
(1 time)
DFT (1 time)
2017 Time-Dependent Density Functional Computations of the Spectrochemical Properties of Dithiolodithiole and Thiophene Electrochromic Systems.
12  time-dependent, linear-response density functional theory
(1 time)
Biophysics
(1 time)
DFT/MRCI (1 time)
LMCT (1 time)
RMSEs (1 time)
2018 On the performance of DFT/MRCI Hamiltonians for electronic excitations in transition metal complexes: The role of the damping function.
13  time-dependent-DFT approach
(1 time)
Chemistry
(1 time)
CS (1 time)
DFT (1 time)
ET (1 time)
2004 Photoinduced intramolecular electron transfer in ruthenium and osmium polyads: insights from theory.