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■ Abbreviation / Long Form : ED / electron density

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Total Number of Papers: 91
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Abbreviation:   ED  (>> Co-occurring Abbreviation)
Long Form:   electron density
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No. Year Title Co-occurring Abbreviation
2020 Tri- and Tetranuclear Metal-String Complexes with Metallophilic d10 -d10 Interactions. AIM, ELI-D, NCI, RSBIs
2020 Utility of dual-energy CT for predicting the vascularity of meningiomas. BV, DECT, PCT, ROIs
2019 A new way of studying chemical reactions: a hand-in-hand URVA and QTAIM approach. PES, QTAIM, URVA
2019 Improving automatic contrast agent extraction system using monochromatic CT number. CT, GmCT, mCT, ROV
2019 Polarization of Electron Density Databases of Transferable Multipolar Atoms. ---
2019 Rotatory Response of Molecular Electron Momentum Densities in Linear, Homogeneous Weak Electric Fields : A Topographical Analysis. EMD, ESP
2019 Towards a generalised development of synthetic CT images and assessment of their dosimetric accuracy. CT, HLUT, MR, simED
2019 Using the iterative kV CBCT reconstruction on the Varian Halcyon linear accelerator for radiation therapy planning for pelvis patients. iCBCT, TPS
2018 Accuracy of electron density, effective atomic number, and iodine concentration determination with a dual-layer dual-energy computed tomography system. DL-DECT
10  2018 Density scaling of phantom materials for a 3D dose verification system. DSF, IMRT, PD, PMMA, PWDT, TPRs
11  2018 Determination of chemical identity and occupancy from experimental density maps. CD, ESP
12  2018 Electron Density of Adipose Tissues Determined by Phase-Contrast Computed Tomography Provides a Measure for Mitochondrial Density and Fat Content. BAT, PCCT, WAT
13  2018 FALDI-based criterion for and the origin of an electron density bridge with an associated (3,-1) critical point on Bader's molecular graph. ---
14  2018 FALDI-based decomposition of an atomic interaction line leads to 3D representation of the multicenter nature of interactions. AILs, FALDI
15  2018 Improved differentiation between high- and low-grade gliomas by combining dual-energy CT analysis and perfusion CT. CBV, CT, rCBV, ROC
16  2018 Spectroscopic and molecular structure (monomeric and dimeric model) investigation of Febuxostat: A combined experimental and theoretical study. AIM, FXT, MEPS
17  2018 The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations. GBP, NCI
18  2018 Tolerance levels of CT number to electron density table for photon beam in radiotherapy treatment planning system. CT-ED, FFF, TMR
19  2017 A review of substitute CT generation for MRI-only radiation therapy. MAE, s-CT
20  2017 Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density. IGM
21  2017 Couch modelling for volumetric modulated arc therapy (VMAT). HU, VMAT
22  2017 Technical Note: Is bulk electron density assignment appropriate for MRI-only based treatment planning for lung cancer? DVPs, IMRT, ITV, PTV, rED, RT
23  2016 Computed tomography imaging parameters for inhomogeneity correction in radiation treatment planning. CT, DVH, FOV, IMRT
24  2016 MRI-based IMRT planning for MR-linac: comparison between CT- and MRI-based plans for pancreatic and prostate cancers. CT, DVPs, IMRT, MRI, NST, OARs, PTV, rED, RT, TMF
25  2016 Source Function applied to experimental densities reveals subtle electron-delocalization effects and appraises their transferability properties in crystals. BAB, SF
26  2015 A combined experimental and theoretical studies on FT-IR, FT-Raman and UV-vis spectra of 2-chloro-3-quinolinecarboxaldehyde. 2Cl3QC, d,p, DFT, ICT, NBO, NLO
27  2015 A study of vibrational spectra and investigations of charge transfer and chemical bonding features of 2-chloro benzimidazole based on DFT computations. CBZ, ICT
28  2015 Quantum chemical calculations on elucidation of molecular structure and spectroscopic insights on 2-amino-4-methoxy-6-methylpyrimidine and 2-amino-5-bromo-6-methyl-4-pyrimidinol--a comparative study. ABMP, AMMP, DFT, GIAO, NBO, TD-DFT
29  2015 Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, (13)C, (1)H) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2-acetoxybenzoic acid by density functional methods. ICT, NBO, NMR, SQMFF
30  2015 Spectroscopic investigation (FTIR spectrum), NBO, HOMO-LUMO energies, NLO and thermodynamic properties of 8-Methyl-N-vanillyl-6-nonenamideby DFT methods. FTIR, ICT, NBO
31  2015 Study on conformational stability, molecular structure, vibrational spectra, NBO, TD-DFT, HOMO and LUMO analysis of 3,5-dinitrosalicylic acid by DFT techniques. 3,5DNSA, NBO, TDDFT, TED
32  2015 Vibrational spectra, NBO, HOMO-LUMO and conformational stability studies of 4-hydroxythiobenzamide. HTB, ICT, MESP, NBO, TDDFT
33  2014 A stoichiometric calibration method for dual energy computed tomography. CT, DECT, EAN, HU
34  2014 Experimental and theoretical investigation of p-n alkoxy benzoic acid based liquid crystals - a DFT approach. DFT, FTIR, HOMO, LUMO, MEP, NBO
35  2014 FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 7-chloro-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one. ICT, NBO
36  2014 FTIR and Raman spectra, electronic spectra and normal coordinate analysis of N,N-dimethyl-3-phenyl-3-pyridin-2-yl-propan-1-amine by DFT method. FTIR, NBO, NCA, SQMFF
37  2014 Molecular orbital studies (hardness, chemical potential, electronegativity and electrophilicity), vibrational spectroscopic investigation and normal coordinate analysis of 5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol. ICT, NBO, PED
38  2014 Molecular structure, normal coordinate analysis, harmonic vibrational frequencies, NBO, HOMO-LUMO analysis and detonation properties of (S)-2-(2-oxopyrrolidin-1-yl) butanamide by density functional methods. DFT, HOF, NBO, NCA, SQMFF
39  2014 Revisiting the bilayer structures of fluid phase phosphatidylglycerol lipids: Accounting for exchangeable hydrogens. NSLD, PG
40  2014 Spectroscopic analysis of 3-Bromodiphenylamine with experimental techniques and quantum chemical calculations. 3BDPA, DFT, ICT, MEP, NBO, PED
41  2014 The feasibility of utilizing pseudo CT-data for online MRI based treatment plan adaptation for a stereotactic radiotherapy treatment of spinal bone metastases. GPR, pCT, TV
42  2014 The spectroscopic (FT-IR, FT-Raman and NMR), first order hyperpolarizability and HOMO-LUMO analysis of 2-mercapto-4(3H)-quinazolinone. 2MQ, DFT, GIAO, HOMO, LUMO, MESP, NBO, TD-DFT
43  2014 Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of L-Asparagine Monohydrate by Density Functional Theory approach. ICT, LAM, NBO, TDDFT
44  2013 Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods. DFT, ICT, MEP, NBO, PED
45  2013 FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule. DFT, FTIR, GIAO, ICT, MEP, NBO, NCA, NLO, NMR, NND4MC
46  2013 Gemstone spectral imaging: determination of CT to ED conversion curves for radiotherapy treatment planning. CT, GSI, HU, RTP
47  2013 Molecular structure, intramolecular hydrogen bonding and vibrational spectral investigation of 2-fluoro benzamide--a DFT approach. 2FBA, DFT, GIAO, NBO, TD-DFT
48  2013 Molecular structure, Normal Coordinate Analysis, harmonic vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant drug 7-hydroxycoumarin. 7-HC, NBO, NCA, SQMFF, TDDFT
49  2013 Molecular structure, spectroscopic (FT-IR, FT-Raman) studies and first-order molecular hyperpolarizabilities, HOMO-LUMO, NBO analysis of 2-hydroxy-p-toluic acid. DFT, HF
50  2013 NBO, NMR, UV, FT-IR, FT-Raman spectra and molecular structure (monomeric and dimeric structures) investigation of 4-Chloro-3,5-Xylenol: a combined experimental and theoretical study. CXL, EA, GIAO, ICT, IP, NMR
51  2013 Quantum chemical studies, vibrational analysis, molecular structure, first order hyper polarizability, NBO and HOMO-LUMO analysis of 3-hydroxybenzaldehyde and its cation. 3-HBA, d,p, ICT, NBO, NLO, TGA
52  2013 The spectroscopic (FTIR, FT-Raman and UV-Vis spectra), DFT and normal coordinate computations of m-nitromethylbenzoate. ICT, MNMB, NBO, NCA, SQMFF, TDDFT
53  2013 Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, TD-DFT and thermodynamic analysis of 4-amino-3-hydroxy-1-naphthalenesulfonic acid by DFT approach. 4A3HNSA, ICT, NBO, NLO, TDDFT
54  2013 Vibrational spectra, NBO analysis, first order hyperpolarizabilities, thermodynamic functions and NMR chemical shielding anisotropy (CSA) parameters of 5-nitro-2-furoic acid by ab initio HF and DFT calculations. CSA
55  2013 Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin. DFT, GIAO, ICT, NBO
56  2012 An investigation into factors affecting electron density calibration for a megavoltage cone-beam CT system. MUs, MV CBCT
57  2012 Molecular structure, vibrational, UV, NMR, hyperpolarizability, NBO and HOMO-LUMO analysis of Pteridine2,4-dione. d,p, DFT, GIAO, NBO, TD-DFT
58  2012 Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), NBO and HOMO-LUMO analysis of 2-quinoxaline carboxylic acid. 2-QCA, DFT, GIAO, NBO, TD-DFT
59  2012 Revealing non-covalent interactions in molecular crystals through their experimental electron densities. NCI, RDG
60  2012 Spectroscopic, electronic structure and natural bond analysis of 2-aminopyrimidine and 4-aminopyrazolo[3,4-d]pyrimidine: a comparative study. 2AP, 4-APP, GIAO, NBO, TD-DFT, TED
61  2012 SU-E-I-37: A Renewed Look at CT Numbers as Encountered in the Diagnostic and Therapeutic Range. LAC
62  2012 Vibrational and electronic absorption spectral studies of 5-amino-1-(4-bromophenyl)-3-phenyl-1-H-pyrazole. ICT, NBO, NCA, SQMFF
63  2012 Vibrational spectral investigation and Natural Bond Orbital analysis of anti-rheumatoid drug ethyl 4-nitrophenylacetate--DFT approach. ENPA, ICT, NBO, PED
64  2012 WE-G-BRCD-04: Development of Automated Determination Method of Robust Beam Directions against Patient Setup Errors Based on Spatial Distribution of Electron Density in Particle Therapy. BEV, CT, PTV
65  2011 Conformational stability, the spectroscopic (FT-IR and UV), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 6,8-diphenylimidazo[1,2-alpha]pyrazine molecule by ab initio HF and density functional methods. ICT, NBO
66  2011 Electron density of two bioactive oligocyclic indole and oxindole derivatives obtained from low-order X-ray data and invariom application. ESPs, QTAIM
67  2011 Influence of electron density spatial distribution and X-ray beam quality during CT simulation on dose calculation accuracy. CT, HU
68  2011 Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method. 2-ClBN, ICT, NBO, NCA, SQMFF, TDDFT
69  2011 Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV) investigations of antiepileptic drug Ethosuximide. DFT, ETX, FT-Raman, FTIR, GIAO, ICT, NBO, NMR, TDDFT
70  2011 Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl. 4M2CBP, DFT, FTIR, GIAO, ICT, NBO, NCA, NMR, SQMFF, TDDFT
71  2011 Reactivity differences between alpha,beta-unsaturated carbonyls and hydrazones investigated by experimental and theoretical electron density and electron localizability analyses. ELI
72  2010 Molecular structure, anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations. ICT, NAA, NBO
73  2010 Square coordinated MnO(2)-units in BiMn(7)O(12). HRSXRD, MPF
74  2010 The spectroscopic (FT-IR, FT-IR gas phase, FT-Raman and UV) and NBO analysis of 4-Hydroxypiperidine by density functional method. 4-HP, ICT, NBO, NCA, SQMFF, TDDFT
75  2009 Cone beam computerized tomography: the effect of calibration of the Hounsfield unit number to electron density on dose calculation accuracy for adaptive radiation therapy. CBCT, HU
76  2009 Dose calculation accuracy using cone-beam CT (CBCT) for pelvic adaptive radiotherapy. CBCT, HU, OBI
77  2009 Environmental effects on charge densities of biologically active molecules: do molecule crystal environments indeed approximate protein surroundings? QM/MM
78  2009 Experimental charge-density study of paracetamol--multipole refinement in the presence of a disordered methyl group. KRMM
79  2009 How to make the ionic Si-O bond more covalent and the Si-O-Si linkage a better acceptor for hydrogen bonding. ELF
80  2008 Analysis of vibrational spectra of L-alanylglycine based on density functional theory calculations. DFT, L-alagly, NBO, NCA, PES, SQMFF
81  2008 Calibration of megavoltage cone-beam CT for radiotherapy dose calculations: correction of cupping artifacts and conversion of CT numbers to electron density. MVCBCT
82  2008 Collective motions of rigid fragments in protein structures from smoothed electron density distributions. ANM, GNM
83  2008 Experimental bond critical point and local energy density properties determined for Mn-O, Fe-O, and Co-O bonded interactions for tephroite, Mn2SiO4, fayalite, Fe2SiO4, and Co2SiO4 olivine and selected organic metal complexes: comparison with properties calculated for non-transition and transition metal M-O bonded interactions for silicates and oxides. BCP
84  2008 Insight into markovnikov reactions of alkenes in terms of ab initio and molecular face theory. AM, MF
85  2008 MRI-based treatment planning with electron density information mapped from CT images: a preliminary study. CT, IMRT, MRI, RT
86  2006 Extension of the experimental electron density analysis to metastable states: a case example of the spin crossover complex Fe(btr)2(NCS)2.H2O. HS, LS
87  2005 Electron density distribution in stacked benzene dimers: a new approach towards the estimation of stacking interaction energies. ---
88  2005 Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligands. ---
89  2004 Hierarchical analysis of promolecular full electron-density distributions: description of protein structure fragments. PASA
90  2003 Investigation of Zr-C, Zr-N, and potential agostic interactions in an organozirconium complex by experimental electron density analysis. ---
91  2001 Experimental electron density in the triclinic phase of Co2(CO)6(mu-CO)(mu-C4O2H2) at 120 K. ---