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Abbreviation : TDDFT
Long Form : time-dependent density functional
No. Year Title Co-occurring Abbreviation
2019 Spectroscopic and quantum chemical study of difluoroboron beta-diketonate luminophores: Isomeric acetylnaphtholate chelates. OVGF
2018 20-Nor-Isopimarane Epimers Produced by Aspergillus wentii SD-310, a Fungal Strain Obtained from Deep Sea Sediment. ---
2018 Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory. ECD, M-DNA, QM/MM
2016 Analysis of the (1)A' S1 ← (1)A' S0 and (2)A' D0 ← (1)A' S1 band systems in 1,2-dichloro-4-fluorobenzene by means of resonance-enhanced-multi-photon-ionization (REMPI) and mass-analyzed-threshold-ionization (MATI) spectroscopy. 1,2,4-DCFB, DFT, EE, IE, MATI, REMPI
2016 Fast Time-Dependent Density Functional Theory Calculations of the X-ray Absorption Spectroscopy of Large Systems. ---
2015 Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations. UV, VUV
2014 A relativistic time-dependent density functional study of the excited states of the mercury dimer. ---
2010 Accurate Intermolecular Interaction Energies from a Combination of MP2 and TDDFT Response Theory. ---
2008 Emergence of charge-transfer-to-solvent band in the absorption spectra of hydrogen halides on ice nanoparticles: spectroscopic evidence for acidic dissociation. CTTS
10  2008 Improved supermolecular second order Moller-Plesset intermolecular interaction energies using time-dependent density functional response theory. ---
11  2007 An aryldihydronaphthalene lignan with a novel type of ring system and further new lignans from linum perenne L. ---
12  2006 DFT and TDDFT study related to electron transfer in nonbonded porphine...C60 complexes. DFT
13  2006 Electronic structure and molecular properties of the heptacyanorhenate [Re(CN)7]3- and [Re(CN)7]4- complexes. DSW
14  2005 Predictions of the electronic absorption and emission spectra of luciferin and oxyluciferins including solvation effects. CIS
15  2004 Density functional calculations of the vibronic structure of electronic absorption spectra. ---