Year |
Citation |
Score |
2012 |
Nguyen TH, Howard ST, Hanrahan JR, Groundwater PW, Platts JA, Hibbs DE. Experimental and theoretical charge density distribution in a host-guest system: synthetic terephthaloyl receptor complexed to adipic acid. The Journal of Physical Chemistry. A. 116: 5618-28. PMID 22548484 DOI: 10.1021/Jp210803M |
0.617 |
|
2010 |
HOWARD ST, PLATTS JA, ALDER RW. ChemInform Abstract: Ab initio Studies of Proton Sponges. Part 2. 1,6-Diazabicyclo(4,4,4) tetradecane. Cheminform. 27: no-no. DOI: 10.1002/chin.199606283 |
0.4 |
|
2010 |
PLATTS JA, HOWARD ST, WOZNIAK K. ChemInform Abstract: Ab initio Studies of Proton Sponges: 1,8-Bis(dimethylamino)naphthalene. Cheminform. 26: no-no. DOI: 10.1002/chin.199506028 |
0.584 |
|
2009 |
Amoroso AJ, Edwards PG, Howard ST, Kariuki BM, Knight JC, Ooi L, Malik KMA, Stratford L, Al-Sudani ARH. The synthesis and coordination chemistry of a tris-8-aminoquinoline tripodal ligand Dalton Transactions. 8356-8362. PMID 19789788 DOI: 10.1039/b909122j |
0.275 |
|
2006 |
Howard ST, Hibbs DE, Amoroso AJ, Platts JA. Quantum-Chemical Design of Cryptand-like Ditopic Salt Binders. Journal of Chemical Theory and Computation. 2: 354-63. PMID 26626524 DOI: 10.1021/ct050270d |
0.504 |
|
2006 |
Waller MP, Howard ST, Platts JA, Piltz RO, Willock DJ, Hibbs DE. Novel properties from experimental charge densities: an application to the zwitterionic neurotransmitter taurine. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 7603-14. PMID 16927277 DOI: 10.1002/chem.200600392 |
0.566 |
|
2006 |
Howard ST, Hibbs DE, Amoroso AJ, Platts JA. Quantum-chemical design of cryptand-like ditopic salt binders Journal of Chemical Theory and Computation. 2: 354-363. DOI: 10.1021/ct050270d |
0.451 |
|
2005 |
Hibbs DE, Howard ST, Huke JP, Waller MP. A new orbital-based model for the analysis of experimental molecular charge densities: an application to (Z)-N-methyl-C-phenylnitrone. Physical Chemistry Chemical Physics : Pccp. 7: 1772-8. PMID 19787937 DOI: 10.1039/b416614k |
0.356 |
|
2005 |
Nguyen TH, Hibbs DE, Howard ST. Conformations, energies, and intramolecular hydrogen bonds in dicarboxylic acids: Implications for the design of synthetic dicarboxylic acid receptors Journal of Computational Chemistry. 26: 1233-1241. PMID 15962275 DOI: 10.1002/Jcc.20259 |
0.454 |
|
2005 |
Hibbs DE, Overgaard J, Howard ST, Nguyen TH. Experimental charge density of a potential DHO synthetase inhibitor: Dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylate Organic and Biomolecular Chemistry. 3: 441-447. PMID 15678181 DOI: 10.1039/b416118a |
0.348 |
|
2004 |
Cyra?ski MK, Howard ST, Chodkiewicz ML. Bond energy, aromatic stabilization energy and strain in IPR fullerenes Chemical Communications. 10: 2458-2459. PMID 15514814 DOI: 10.1039/b408903k |
0.29 |
|
2004 |
Howard ST, Abernethy CD. Intramolecular C-H...Ccarbene hydrogen bonds and competing interactions in monoprotonated tripodal carbenes. Journal of Computational Chemistry. 25: 649-59. PMID 14978708 DOI: 10.1002/jcc.20004 |
0.313 |
|
2004 |
Chodkiewicz ML, Howard ST, Wo?niak K. Toward a compact description of molecular electron densities International Journal of Quantum Chemistry. 98: 1-10. DOI: 10.1002/qua.20002 |
0.288 |
|
2004 |
Howard ST, Abernethy CD. Intramolecular C-H...Ccarbene Hydrogen Bonds and Competing Interactions in Monoprotonated Tripodal Carbenes Journal of Computational Chemistry. 25: 649-659. DOI: 10.1002/jcc.20004 |
0.313 |
|
2003 |
Pozharskii AF, Dyablo OV, Koroleva MG, Sennikova EV, Starikova ZA, Howard ST. Monohydrazine analogues of naphthalene and acenaphthene 'proton sponges' Mendeleev Communications. 13: 180-182. DOI: 10.1070/Mc2003V013N04Abeh001800 |
0.358 |
|
2003 |
Davies AS, George WO, Howard ST. Ab initio and DFT computer studies of complexes of quaternary nitrogen cations: Trimethylammonium, tetramethylammonium, trimethylethylammonium, choline and acetylcholine with hydroxide, fluoride and chloride anions Physical Chemistry Chemical Physics. 5: 4533-4540. DOI: 10.1039/B307534F |
0.484 |
|
2003 |
Howard ST. An atoms-in-molecules model of bond energy distributions in polyatomic molecules Physical Chemistry Chemical Physics. 5: 3113-3119. DOI: 10.1039/b303476n |
0.312 |
|
2003 |
Howard ST, Lamarche O. Description of covalent bond orders using the charge density topology Journal of Physical Organic Chemistry. 16: 133-141. |
0.339 |
|
2002 |
Howard ST, Platts JA, Coogan MP. Relationships between basicity, structure, chemical shift and the charge distribution in resonance-stabilized iminoamines Journal of the Chemical Society, Perkin Transactions 2. 899-905. DOI: 10.1039/B200899H |
0.438 |
|
2002 |
Elliott MC, Williams E, Howard ST. Synthesis and properties of a chiral bis-tetrahydroisoquinoline proton sponge Journal of the Chemical Society, Perkin Transactions 2. 201-203. |
0.291 |
|
2002 |
Hambley TW, Hibbs DE, Turner P, Howard ST, Hursthouse MB. Insights into bonding and hydrogen bond directionality in thioacetamide from the experimental charge distribution Journal of the Chemical Society, Perkin Transactions 2. 235-239. |
0.335 |
|
2001 |
Aldridge S, Fallis IA, Howard ST. Anion binding by multidentate Lewis acids: A DFT study Chemical Communications. 231-232. |
0.262 |
|
2001 |
Howard ST, Cyranski MK, Stolarczyk LZ. On the calculation of bond energies from atomization energies Chemical Communications. 197-198. |
0.331 |
|
2000 |
Ozeryanskii VA, Pozharskii AF, Milgizina GR, Howard ST. Synthesis and properties of 5,6-Bis(dimethylamino)acenaphthylene: the first proton sponge with easily-modified basicity The Journal of Organic Chemistry. 65: 7707-9. PMID 11076641 |
0.307 |
|
2000 |
Ozeryanskii VA, Pozharskii AF, Milgizina GR, Howard ST. Synthesis and properties of 5,6-bis(dimethylamino)acenaphthylene: The first proton sponge with easily-modified basicity Journal of Organic Chemistry. 65: 7707-7709. DOI: 10.1021/jo001171p |
0.307 |
|
2000 |
Howard ST. Relationship between basicity, strain, and intramolecular hydrogen-bond energy in proton sponges Journal of the American Chemical Society. 122: 8238-8244. DOI: 10.1021/ja0010094 |
0.342 |
|
1999 |
Howard ST, Fallis IA. Structures and cationic complexes of 18[(2,6)pyridino-6-corand-6] ('sexipyridine') Journal of the Chemical Society. Perkin Transactions 2. 2501-2506. DOI: 10.1039/A905461H |
0.431 |
|
1999 |
Howard ST, Fallis IA, Willock DJ. Polarizability anisotropies of cyano-substituted azulene, biphenyl, 2,2′ - bipyridyl and naphthalene Molecular Physics. 97: 913-918. |
0.275 |
|
1998 |
Howard ST, Fallis IA. Ab Initio Studies of Proton Sponges (V): 1,4,7,10-Tetraaza-tricyclo[5,5,2,2(4,10)]hexa- decane, a Tricyclic Proton Sponge. The Journal of Organic Chemistry. 63: 7117-7119. PMID 11672345 |
0.356 |
|
1998 |
Howard ST, Platts JA. Ab Initio Studies of Proton Sponges. 4. Calculating the Strain Energy The Journal of Organic Chemistry. 63: 3568-3571. DOI: 10.1021/jo972188j |
0.544 |
|
1998 |
Howard ST, Krygowski TM, Ciesielski A, Wisiorowski M. Angular group-induced bond alternation II. The magnitude and the nature of the effect and its application to polynuclear benzenoid systems Tetrahedron. 54: 3533-3548. DOI: 10.1016/S0040-4020(98)00087-8 |
0.438 |
|
1998 |
Howard ST, Krygowski TM, Ciesielski A, Wisiorowski M. Angular group-induced bond alternation II. The magnitude and the nature of the effect and its application to polynuclear benzenoid systems Tetrahedron. 54: 3533-3548. DOI: 10.1016/S0040-4020(98)00087-8 |
0.26 |
|
1998 |
Howard ST, Platts JA. Ab Initio Studies of Proton Sponges. 4. Calculating the Strain Energy Journal of Organic Chemistry. 63: 3568-3571. |
0.348 |
|
1998 |
Howard ST, Fallis IA. Ab initio studies of proton sponges (V): 1, 4, 7, 10-Tetraaza-tricyclo[5, 5, 2, 24, 10]hexa-decane, a tricyclic proton sponge Journal of Organic Chemistry. 63: 7117-7119. |
0.356 |
|
1998 |
Puig-Molina A, Alvarez-Larena A, Piniella JF, Howard ST, Baert F. The Electron Distribution in the Nonlinear Optical Material 2-Amino-5-Nitropyridinium Dihydrogen Phosphate Structural Chemistry. 9: 395-402. |
0.21 |
|
1998 |
Howard ST, Fallis IA. A 'triylide carbocycle': Cyclononane-1,4,7-triammonium triylide Journal of the Chemical Society. Perkin Transactions 2. 2335-2336. |
0.239 |
|
1998 |
Howard ST, Jones C. An ab initio study of diarsacyclobutadienes Journal of the Chemical Society - Dalton Transactions. 3119-3123. |
0.374 |
|
1998 |
Howard ST, Jones C. An ab initio study of diarsacyclobutadienes Journal of the Chemical Society - Dalton Transactions. 3119-3123. |
0.374 |
|
1998 |
Howard ST, Hayes RA, Hursthouse MB. Polarizabilities of alkylsiloxanate and methoxysiloxanate anions Chemical Physics Letters. 293: 523-527. |
0.32 |
|
1998 |
Howard ST, Hayes RA, Hursthouse MB. Polarizabilities of alkylsiloxanate and methoxysiloxanate anions Chemical Physics Letters. 293: 523-527. |
0.32 |
|
1998 |
Howard ST, Platts JA. Ab Initio Studies of Proton Sponges. 4. Calculating the Strain Energy Journal of Organic Chemistry. 63: 3568-3571. |
0.348 |
|
1998 |
Platts JA, Howard ST, Fallis IA. Intermolecular interactions in the N ≡ C-C ≡ C-H dimer Chemical Physics Letters. 285: 198-204. |
0.224 |
|
1997 |
Krygowski TM, Wisiorowski M, Howard ST, Stolarczyk LZ. Angular-group-induced bone alternation. I. Origin of the effect from ab initio calculations Tetrahedron. 53: 13027-13036. DOI: 10.1016/S0040-4020(97)00826-0 |
0.287 |
|
1997 |
Krygowski TM, Wisiorowski M, Howard ST, Stolarczyk LZ. Angular-group-induced bone alternation. I. Origin of the effect from ab initio calculations Tetrahedron. 53: 13027-13036. DOI: 10.1016/S0040-4020(97)00826-0 |
0.287 |
|
1997 |
Howard ST, Foreman JP, Edwards PG. Correlated proton affinities of arylphosphines Chemical Physics Letters. 264: 454-458. |
0.304 |
|
1997 |
Krygowski TM, Howard ST, Martynowski D, Glówka ML. Imbalance of the Kekulé structures in 2,4,6-trimethoxy-s-triazine Journal of Physical Organic Chemistry. 10: 125-127. |
0.207 |
|
1997 |
Howard ST, Foreman JP, Edwards PG. Substituent effects on basicity in Group 15 compounds: An analysis based on proton affinities, charge distributions, and dipole polarizabilities Canadian Journal of Chemistry. 75: 60-67. |
0.304 |
|
1997 |
Howard ST, Krygowski TM. Benzenoid hydrocarbon aromaticity in terms of charge density descriptors Canadian Journal of Chemistry. 75: 1174-1181. |
0.291 |
|
1997 |
Howard ST, Krygowski TM. Benzenoid hydrocarbon aromaticity in terms of charge density descriptors Canadian Journal of Chemistry. 75: 1174-1181. |
0.291 |
|
1997 |
Platts JA, Howard ST. C - H ⋯ C Hydrogen bonding involving ylides Journal of the Chemical Society. Perkin Transactions 2. 2241-2248. |
0.29 |
|
1997 |
Platts JA, Howard ST. C - H ⋯ C Hydrogen bonding involving ylides Journal of the Chemical Society. Perkin Transactions 2. 2241-2248. |
0.29 |
|
1997 |
Krygowski TM, Howard ST, Martynowski D, Glówka ML. Imbalance of the Kekulé structures in 2,4,6-trimethoxy-s-triazine Journal of Physical Organic Chemistry. 10: 125-127. |
0.207 |
|
1997 |
Howard ST, Foreman JP, Edwards PG. Correlated proton affinities of arylphosphines Chemical Physics Letters. 264: 454-458. |
0.304 |
|
1996 |
Platts JA, Howard ST. Ab Initio Studies of Proton Sponges. 3. 4,5-Bis(dimethylamino)fluorene and 4,5-Bis(dimethylamino)phenanthrene. The Journal of Organic Chemistry. 61: 4480-4482. PMID 11667359 |
0.586 |
|
1996 |
Platts JA, Howard ST. Periodic Hartree–Fock calculations on crystalline HCN The Journal of Chemical Physics. 105: 4668-4674. DOI: 10.1063/1.472332 |
0.522 |
|
1996 |
Howard ST. Conformers, energetics, and basicity of 2,2'-bipyridine Journal of the American Chemical Society. 118: 10269-10274. DOI: 10.1021/ja960932w |
0.299 |
|
1996 |
Howard ST. Conformers, energetics, and basicity of 2,2'-bipyridine Journal of the American Chemical Society. 118: 10269-10274. DOI: 10.1021/ja960932w |
0.299 |
|
1996 |
Platts JA, Howard ST, Bracke BRF. Directionality of hydrogen bonds to sulfur and oxygen Journal of the American Chemical Society. 118: 2726-2733. DOI: 10.1021/ja952871s |
0.517 |
|
1996 |
Platts JA, Howard ST, Bracke BRF. Directionality of hydrogen bonds to sulfur and oxygen Journal of the American Chemical Society. 118: 2726-2733. DOI: 10.1021/ja952871s |
0.309 |
|
1996 |
Howard ST, Krygowski TM, Glówka ML. The imbalanced Kekule structure contributions in the ring in 1,3,5-trisubstituted benzene derivatives: Low temperature X-ray study on 1,3,5-trimethoxybenzene, and ab initio calculations on 1,3,5-triformylobenzene and trimethoxybenzene and the related di-substituted systems Tetrahedron. 52: 11379-11384. DOI: 10.1016/0040-4020(96)00664-3 |
0.323 |
|
1996 |
Howard ST, Krygowski TM, Glówka ML. The imbalanced Kekule structure contributions in the ring in 1,3,5-trisubstituted benzene derivatives: Low temperature X-ray study on 1,3,5-trimethoxybenzene, and ab initio calculations on 1,3,5-triformylobenzene and trimethoxybenzene and the related di-substituted systems Tetrahedron. 52: 11379-11384. DOI: 10.1016/0040-4020(96)00664-3 |
0.323 |
|
1996 |
Platts JA, Howard ST. Ab initio studies of proton sponges. 3. 4,5-Bis(dimethylamino)fluorene and 4,5-bis(dimethylamino)phenanthrene Journal of Organic Chemistry. 61: 4480-4482. |
0.412 |
|
1996 |
Platts JA, Howard ST. Ab initio studies of proton sponges. 3. 4,5-Bis(dimethylamino)fluorene and 4,5-bis(dimethylamino)phenanthrene Journal of Organic Chemistry. 61: 4480-4482. |
0.412 |
|
1996 |
Platts JA, Howard ST. Periodic Hartree-Fock calculations on crystalline HCN Journal of Chemical Physics. 105: 4668-4674. |
0.323 |
|
1996 |
Platts JA, Howard ST. Periodic Hartree-Fock calculations on crystalline HCN Journal of Chemical Physics. 105: 4668-4674. |
0.323 |
|
1996 |
Howard ST, Foreman JP, Edwards PG. Electronic Structure of Aryl- and Alkylphosphines Inorganic Chemistry. 35: 5805-5812. |
0.251 |
|
1996 |
Howard ST, Foreman JP, Edwards PG. Electronic Structure of Aryl- and Alkylphosphines Inorganic Chemistry. 35: 5805-5812. |
0.251 |
|
1996 |
Platts JA, Howard ST, Wo?niak K. Quantum chemical evidence for C-H⋯C hydrogen bonding Chemical Communications. 63-64. |
0.295 |
|
1995 |
Howard ST, Hursthouse MB, Lehmann CW, Poyner EA. Experimental and theoretical determination of electronic properties in l‐dopa Acta Crystallographica Section B. 51: 328-337. DOI: 10.1107/S0108768194011407 |
0.279 |
|
1995 |
Howard ST. Polarizabilities, atoms-in-molecules polarizabilities and bonding in (CN)–, (SCN)–, (OCN)– and (CIO)– Molecular Physics. 85: 395-406. DOI: 10.1080/00268979500101181 |
0.31 |
|
1995 |
Wo?niak K, He H, Klinowski J, Nogaj B, Lema?ski D, Hibbs DE, Hursthouse MB, Howard ST. Low-temperature single-crystal X-Ray diffraction, 1H and 13C solid-state NMR and 14N NQR studies of 1,8-bis(dimethyl-amino)naphthalene Journal of the Chemical Society, Faraday Transactions. 91: 3925-3932. DOI: 10.1039/Ft9959103925 |
0.317 |
|
1995 |
Howard ST, Platts JA, Alder RW. Ab initio studies of proton sponges. 2. 1,6-diazabicyclo[4.4.4]tetradecane Journal of Organic Chemistry. 60: 6085-6090. DOI: 10.1021/jo00124a020 |
0.406 |
|
1995 |
Howard ST, Platts JA. Relationship between Phosphine Proton Affinities and Lone Pair Density Properties The Journal of Physical Chemistry. 99: 9027-9033. DOI: 10.1021/j100022a013 |
0.545 |
|
1995 |
Howard ST, Platts JA, Wo?niak K. On the barrier to molecular axial rotation in crystalline benzene Chemical Physics Letters. 239: 267-272. DOI: 10.1016/0009-2614(95)00487-O |
0.472 |
|
1995 |
Howard ST, Attard GA, Lieberman HF. The polarizabilities of perchlorate, bisulphate and dihydrogen phosphate anions Chemical Physics Letters. 238: 180-186. DOI: 10.1016/0009-2614(95)00335-5 |
0.289 |
|
1995 |
Howard ST, Attard GA, Lieberman HF. The polarizabilities of perchlorate, bisulphate and dihydrogen phosphate anions Chemical Physics Letters. 238: 180-186. DOI: 10.1016/0009-2614(95)00335-5 |
0.289 |
|
1995 |
Platts JA, Howard ST, Wo?niak K. Weak intermolecular interactions between nitrogen and oxygen atoms Chemical Physics Letters. 232: 479-485. DOI: 10.1016/0009-2614(94)01397-E |
0.483 |
|
1995 |
Howard ST, Platts JA. Relationship between phosphine proton affinities and lone pair density properties Journal of Physical Chemistry. 99: 9027-9033. |
0.351 |
|
1994 |
Howard ST, Huke JP, Mallinson PR, Frampton CS. Density-matrix refinement for molecular crystals. Physical Review. B, Condensed Matter. 49: 7124-7136. PMID 10009449 |
0.253 |
|
1994 |
Ciechanowicz-Rutkowska M, Kie?-Kononowicz K, Howard ST, Lieberman B, Hursthouse MB. Molecular and electronic structures of two (anticonvulsant) diphenylhydantoin derivatives. Acta Crystallographica. Section B, Structural Science. 50: Pt 1/-. PMID 8148098 DOI: 10.1107/S0108768193007943 |
0.282 |
|
1994 |
Ciechanowicz-Rutkowska M, Kie?-Kononowicz K, Howard ST, Lieberman B, Hursthouse MB. Molecular and electronic structures of two (anticonvulsant) diphenylhydantoin derivatives. Acta Crystallographica. Section B, Structural Science. 50: Pt 1/-. PMID 8148098 DOI: 10.1107/S0108768193007943 |
0.278 |
|
1994 |
Howard ST, Huke JP, Mallinson PR, Frampton CS. Density-matrix refinement for molecular crystals Physical Review B. 49: 7124-7136. DOI: 10.1103/PhysRevB.49.7124 |
0.253 |
|
1994 |
Howard ST, Huke JP, Mallinson PR, Frampton CS. Density-matrix refinement for molecular crystals Physical Review B. 49: 7124-7136. DOI: 10.1103/PhysRevB.49.7124 |
0.253 |
|
1994 |
Platts JA, Howard ST, Wo?niak K. Ab initio studies of proton sponges: 1,8-Bis(dimethylamino)naphthalene Journal of Organic Chemistry. 59: 4647-4651. DOI: 10.1021/Jo00095A046 |
0.456 |
|
1994 |
Platts JA, Howard ST, Wozniak K. Ab Initio Studies of Proton Sponges: 1,8-Bis(dimethylamino)naphthalene The Journal of Organic Chemistry. 59: 4647-4651. DOI: 10.1021/jo00095a046 |
0.592 |
|
1994 |
Krygowski TM, Anulewicz R, Jarmula A, Ba̧k T, Rasala D, Howard S. The effect of the methoxy group on the geometry of the benzene ring supported by crystal structure studies and Ab Initio Calculations. Crystal and Molecular Structure of 4-(4-Methoxyphenyl)-2,6-diphenylpyridine and 1-Methyl-4-(4-methoxy-phenyl)-2,6-diphenylpyridinium perchlorate Tetrahedron. 50: 13155-13164. DOI: 10.1016/S0040-4020(01)89325-X |
0.32 |
|
1994 |
Howard ST. Ab initio effective core potential calculations on HgI2, PtI2, and PbI2 Journal of Physical Chemistry. 98: 6110-6113. |
0.343 |
|
1993 |
Howard ST, Wo?niak K. The effect of electron correlation on the structure and properties of the benzenium ion Chemical Physics Letters. 212: 1-4. DOI: 10.1016/0009-2614(93)87098-N |
0.268 |
|
1993 |
Howard ST, Wo?niak K. The effect of electron correlation on the structure and properties of the benzenium ion Chemical Physics Letters. 212: 1-4. DOI: 10.1016/0009-2614(93)87098-N |
0.268 |
|
1992 |
Howard ST, Hursthouse MB, Lehmann CW, Mallinson PR, Frampton CS. Experimental and theoretical study of the charge density in 2-methyl-4-nitroaniline The Journal of Chemical Physics. 97: 5616-5630. |
0.294 |
|
1992 |
Howard ST, Hursthouse MB, Lehmann CW, Mallinson PR, Frampton CS. Experimental and theoretical study of the charge density in 2-methyl-4-nitroaniline The Journal of Chemical Physics. 97: 5616-5630. |
0.294 |
|
1991 |
Till SJ, Howard ST, Huke JP, Parsons IW. Lattice models for the MSXα description of transition metal impurities in ionic crystals The Journal of Chemical Physics. 95: 9065-9078. |
0.207 |
|
1991 |
Till SJ, Howard ST, Huke JP, Parsons IW. Lattice models for the MSXα description of transition metal impurities in ionic crystals The Journal of Chemical Physics. 95: 9065-9078. |
0.207 |
|
1991 |
Till SJ, Howard ST, Parsons IW. Transition matrix elements from multiple scattering wave functions for LiH The Journal of Chemical Physics. 95: 9079-9085. |
0.189 |
|
1991 |
Till SJ, Howard ST, Parsons IW. Transition matrix elements from multiple scattering wave functions for LiH The Journal of Chemical Physics. 95: 9079-9085. |
0.189 |
|
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