Poul Erik Hansen
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Computer Science
Poul Erik Hansen's Degrees
- PhD Computer Science University of Copenhagen
- Masters Computer Science Aarhus University
- Bachelors Computer Science University of Southern Denmark
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(Suggest an Edit or Addition)Poul Erik Hansen's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Carbon—hydrogen spin—spin coupling constants (1981) (275)
- Isotope effects in nuclear shielding (1988) (224)
- Bromophenols in Marine Algae and Their Bioactivities (2011) (195)
- Pharmacological Profile of Xanthohumol, a Prenylated Flavonoid from Hops (Humulus lupulus) (2015) (151)
- Isolation, Characterization, and Quantitative Analysis of Microviridin J, a New Microcystis Metabolite Toxic to Daphnia (2003) (140)
- 13C NMR of polycyclic aromatic compounds. A review (1979) (139)
- Solution structure of the eukaryotic pore-forming cytolysin equinatoxin II: implications for pore formation. (2002) (134)
- The influence of organic matter on sorption and fate of glyphosate in soil--comparing different soils and humic substances. (2009) (109)
- Magnetic susceptibility: solutions, emulsions, and cells (2003) (92)
- Long range 13C1H spin-spin coupling constants in amino acids. Conformational applications (1975) (77)
- NMR and IR Investigations of Strong Intramolecular Hydrogen Bonds (2017) (70)
- Sorption of Polycyclic Aromatic Compounds to Humic Acid As Studied by High-Performance Liquid Chromatography (1997) (66)
- Characterisation of humic materials of different origin: a multivariate approach for quantifying the latent properties of dissolved organic matter. (2002) (64)
- Phosphate pool dynamics in the arbuscular mycorrhizal fungus Glomus intraradices studied by in vivo31 P NMR spectroscopy. (2004) (64)
- Isotope Effects on Chemical Shifts as an Analytical Tool in Structural Studies of Intramolecular Hydrogen Bonded Compounds (2000) (64)
- Deuterium isotope effects on 13C chemical shifts of intramolecularly hydrogen-bonded Schiff bases (1999) (63)
- Unraveling the Electronic and Vibrational Contributions to Deuterium Isotope Effects on 13C Chemical Shifts Using ab Initio Model Calculations. Analysis of the Observed Isotope Effects on Sterically Perturbed Intramolecular Hydrogen-Bonded o-Hydroxy Acyl Aromatics (1998) (62)
- Deuterium isotope effects on the 13C nuclear shielding of intramolecularly hydrogen‐bonded systems (1986) (61)
- NMR study of proton transfer equilibrium in Schiff bases derived from 2‐hydroxy‐1‐naphthaldehyde and 1‐hydroxy‐2‐acetonaphthone. Deuterium isotope effects on 13C and 15N chemical shifts (2001) (59)
- Deuterium‐Induced Isotope Effects on 13C Chemical Shifts as a Probe for Tautomerism in Enolic β‐Diketones (1996) (58)
- Characterization of salt bridges to lysines in the protein G B1 domain. (2009) (58)
- Long range 13C13C coupling constants. A review (1978) (52)
- Characterization and structural modelling of humic substances in field soil displaying significant differences from previously proposed structures (2008) (51)
- Substituent effects on deuterium isotope effects on nuclear shielding of intramolecularly hydrogen‐bonded aromatic ketones, aldehydes and esters (1993) (50)
- 31P NMR for the study of P metabolism and translocation in arbuscular mycorrhizal fungi (2000) (49)
- Isotope effects on chemical shifts of proteins and peptides (2000) (47)
- Studies Based on Deuterium Isotope Effect on 13C Chemical Shifts (2004) (46)
- Deuterium and 18O isotope effects on 13C chemical shifts of sterically hindered and/or intramolecularly hydrogen‐bonded o‐hydroxy acyl aromatics (1994) (44)
- Deuterium isotope effects on 13C nuclear shielding as a measure of tautomeric equilibria (1982) (41)
- Deuterium Isotope Effects on 13C and 15N Nuclear Shielding in Intramolecularly Hydrogen-Bonded Compounds. Investigation of Enamine Derivatives. (1990) (40)
- NMR structure determination of a modified DNA oligonucleotide containing a new intercalating nucleic acid. (2004) (38)
- Tautomerism of sterically hindered schiff bases. Deuterium isotope effects on 13C chemical shifts. (2005) (38)
- Solvent-induced deuterium isotope effects on 19F chemical shifts of some substituted fluorobenzenes. Formation of inclusion complexes (1985) (36)
- 13C, 13C coupling constants and 13C chemical shifts of aromatic carbonyl compounds. Effects of ortho‐ and peri‐interactions involving the carbonyl substituent (1977) (36)
- A 19F NMR study of C–I⋯π halogen bonding (2011) (36)
- Photovoltaic Performance and Characteristics of Dye-Sensitized Solar Cells Prepared with the N719 Thermal Degradation Products [Ru(LH)2(NCS)(4-tert-butylpyridine)][N(Bu)4] and [Ru(LH)2(NCS)(1-methylbenzimidazole)][N(Bu)4] (2011) (36)
- One-bond deuterium isotope effects on 15N chemical shifts in Schiff bases (1998) (35)
- Deuterium isotope effects on 13C nuclear shielding of amino and acetamido compounds. Tautomerism and intramolecular hydrogen bonding (1992) (35)
- Carbon–proton coupling constants in allenes, ethenes and butatrienes. Application to conformational analysis of allenyl and vinyl alkyl ethers and thioethers (1984) (34)
- Tautomerism of enolic triacetylmethane, 2‐acyl‐1,3‐cycloalkanediones, 5‐acyl Meldrum’s acids and 5‐acyl‐1,3‐dimethylbarbituric acids studied by means of deuterium isotope effects on 13C chemical shifts (1998) (34)
- Exploring Symbiotic Nitrogen Fixation and Assimilation in Pea Root Nodules by in Vivo 15N Nuclear Magnetic Resonance Spectroscopy and Liquid Chromatography-Mass Spectrometry1 (2003) (34)
- Further insight via 15N NMR spectroscopy into the reactive intermediates formed by superacid protonation of crowded nitro- PAHs: persistent dihydroxyiminiumpyrenium and hydroxyiminiumpyrenium dications (1998) (34)
- Hydrogen bonding and tautomerism studied by isotope effects on chemical shifts (1994) (33)
- Schiff bases of gossypol: an NMR and DFT study (2005) (33)
- Strong intramolecular hydrogen bonding involving nitro- and acetyl groups: Deuterium Isotope effects on chemical shifts (2006) (33)
- Steric compression and twist in o-hydroxy acyl aromatics with intramolecular hydrogen bonding (2005) (32)
- Effect of different humic substances on the fate of diuron and its main metabolite 3,4-dichloroaniline in soil. (2008) (31)
- Isotope Effects on Nuclear Shielding (1984) (31)
- NMR Studies of Hydroxy Schiff Bases (2009) (31)
- Variable temperature 1H and 13C NMR spectroscopic investigation of the enol–enethiol tautomerism of β-thioxoketones. Isotope effects due to deuteron chelation (2000) (31)
- New erythritol derivatives from the fertile form of Roccella montagnei. (2017) (31)
- 13C13C coupling constants in derivatives of trans‐stilbene and tetraphenylethylene. Determination of relative signs II (1976) (30)
- Deuterium isotope effects on nuclear shielding: directional effects and nonadditivity in acyl derivatives (1986) (30)
- An efficient and green method for regio- and chemo-selective Friedel–Crafts acylations using a deep eutectic solvent ([CholineCl][ZnCl2]3) (2016) (30)
- Deuterium isotope effects on 13C and 15N nuclear shielding in o‐hydroxyazo dyes (1984) (29)
- 13C19F spin–spin coupling in some monofluoro-substituted polycyclic aromatic hydrocarbons† (1977) (29)
- Tautomeric transformations of piroxicam in solution: a combined experimental and theoretical study (2015) (28)
- Carbon–Carbon Coupling Constants: Data (1981) (28)
- OH stretching frequencies in systems with intramolecular hydrogen bonds: Harmonic and anharmonic analyses (2011) (28)
- 13C, 13C coupling constants in phenyl substituted ethylene, naphthalene, phenanthrene and cyclopentadienone. Dependence on dihedral angles. Determination of signs by the symmetrical double labelling (SDL) method. IV (1979) (28)
- Isotope effect on chemical shifts in hydrogen-bonded systems (2007) (27)
- Sorption of polycyclic aromatic compounds to humic and fulvic acid HPLC column materials. (2001) (27)
- Ab initio calculations of deuterium isotope effects on hydrogen and nitrogen nuclear magnetic shielding in the hydrated ammonium ion (1992) (27)
- Determination of relative signs of 13C13C coupling constants in doubly labelled compounds (1975) (26)
- Variable‐temperature NMR studies of 2,6‐dihydroxy acylaromatic compounds. Deuterium isotope effects on chemical shifts, isotopic perturbation of equilibrium and barriers to rotation (1993) (26)
- CH, CD, CC and HH coupling constants in isotopically enriched cyclobutene (1981) (26)
- The intramolecular hydrogen bond in ortho -hydroxy acetophenones (2004) (26)
- Density functional theory study of intramolecular hydrogen bonding and proton transfer in o-hydroxyaryl ketimines. (2008) (25)
- Cytotoxic geranylated xanthones and O-alkylated derivatives of α-mangostin. (2009) (25)
- Substituent effects on 13C13C coupling constants and chemical shifts in 13C labelled polycyclic aromatic hydroxy compounds (1975) (25)
- Binding of topotecan to a nicked DNA oligomer in solution. (2008) (25)
- Deuterium Isotope Effects on 13C Chemical Shifts of o‐Hydroxyacyl Aromatics. Intramolecular Hydrogen Bonding (1997) (24)
- Intramolecular hydrogen bonding of the enol forms of beta-ketoamides and beta-ketothioamides: deuterium isotope effects on 13C chemical shifts (1996) (24)
- 13C13C coupling constants and substituent effects on 13C chemical shifts in 13C labelled pyrene and pyrene derivatives (1975) (24)
- Determination of octanol-water partition coefficients of polar polycyclic aromatic compounds (N-PAC) by high performance liquid chromatography (1997) (24)
- A Simple Synthetic Route to Silylated Methyl 3-Azido-2,3-dideoxy-alpha,beta-D-erythro-pentofuranoside. (1990) (24)
- Isotope Effects on Chemical Shifts in the Study of Intramolecular Hydrogen Bonds (2015) (23)
- Individualization of treatments with drugs metabolized by CES1: combining genetics and metabolomics. (2015) (23)
- Deuterium isotope effects on 15N backbone chemical shifts in proteins (2009) (23)
- Primary tritium and deuterium isotope effects on chemical shifts of compounds having an intramolecular hydrogen bond † (2000) (23)
- Reverse quantitative structure-activity relationship for modelling the sorption of esfenvalerate to dissolved organic matter. A multivariate approach. (2002) (22)
- Charge Delocalization Pathways in Persistent 1-Pyrenyl-, 4-Pyrenyl-, and 2-Pyrenylmethylcarbenium Ions as Models of PAH−Epoxide Ring Opening: NMR Studies in Superacids and AM1 Calculations§ (1997) (22)
- Friedolanostane, friedocycloartane and benzophenone constituents of the bark and leaves of Garcinia benthami. (2011) (22)
- Temperature coefficient of NH chemical shifts of thioamides and amides in relation to structure (2004) (22)
- Deuterium isotope effects on 13C chemical shifts of intramolecularly hydrogen‐bonded olefins (1995) (22)
- DEUTERIUM ISOTOPE EFFECTS ON 13C CHEMICAL SHIFTS OF ENAMINONES (1997) (21)
- Theoretical, Structural, Vibrational, NMR, and Thermal Evidence of the Inter- versus Intramolecular Hydrogen Bonding in Oxamides and Thiooxamides (2004) (21)
- Deuterium isotope effects on 15N, 13C and 1H chemical shifts of proton sponges (2002) (21)
- Multiple binding modes of the camptothecin family to DNA oligomers. (2004) (21)
- LONG-RANGE INTRINSIC AND EQUILIBRIUM DEUTERIUM ISOTOPE EFFECTS ON 19F CHEMICAL SHIFTS (1997) (21)
- Solution and solid state 13C NMR and X-ray studies of genistein complexes with amines. Potential biological function of the C-7, C-5, and C-4′-OH groups (2003) (20)
- 4-Hydroxy-1-naphthaldehydes: proton transfer or deprotonation. (2015) (20)
- On prediction of OH stretching frequencies in intramolecularly hydrogen bonded systems (2012) (20)
- Thioacetylacetone: structural and vibrational assignments. (2004) (20)
- Variable‐temperature NMR study of the enol forms of benzoylacetones (2005) (20)
- Trichloromethyl compounds--natural background concentrations and fates within and below coniferous forests. (2010) (20)
- Detection of salt bridges to lysines in solution in barnase. (2013) (19)
- Ab initio calculations of deuterium isotope effects on chemical shifts of salt-bridged lysines. (2011) (19)
- An efficient and green synthesis of 1-indanone and 1-tetralone via intramolecular Friedel-Crafts acylation reaction (2015) (19)
- Intramolecular hydrogen bonding and tautomerism of acylpyran-2,4-diones, -2,4,6-triones and acylpyridinediones and benzannelated derivatives. Deuterium isotope effects on 13C NMR chemical shifts (1995) (19)
- A nicked duplex decamer DNA with a PEG(6) tether. (2001) (19)
- nJ(13C, O1H) coupling constants of intramolecularly hydrogen‐bonded compounds (1998) (19)
- Theoretical and NMR studies of deuterium isotopic perturbation of hydrogen bonding in symmetrical dihydroxy compounds. (2010) (19)
- Indium triflate in 1-isobutyl-3-methylimidazolium dihydrogen phosphate: an efficient and green catalytic system for Friedel–Crafts acylation (2015) (19)
- Dynamics of excited state proton transfer in nitro substituted 10-hydroxybenzo[h]quinolines. (2017) (19)
- Characterisation of the PT-form of o-hydroxy acylaromatic Schiff bases by NMR spectroscopy and DFT calculations (2004) (19)
- Chemical constituents from Sonneratia ovata Backer and their in vitro cytotoxicity and acetylcholinesterase inhibitory activities. (2015) (18)
- Intramolecular hydrogen bonding of novel o‐hydroxythioacetophenones and related compounds evaluated by deuterium isotope effects on 13C chemical shifts (2007) (18)
- Bioactivities and chemical constituents of a Vietnamese medicinal plant Che Vang, Jasminum subtriplinerve Blume (Oleaceae) (2008) (18)
- Carbon–Carbon Coupling Constants: Discussion (1981) (17)
- Preparation and structural characterization of a new class of stable thioketones: ortho-hydroxythioacetophenones (2006) (17)
- Erbium trifluoromethanesulfonate-catalyzed Friedel–Crafts acylation using aromatic carboxylic acids as acylating agents under monomode-microwave irradiation (2015) (17)
- Use of 13C-1H spin-coupling constants in the determination of side-chain conformations of amino-acids (1974) (17)
- Deuterium isotope effects on 17 O chemical shifts of intramolecularly hydrogen bonded systems (1999) (17)
- Generation and NMR studies of persistent fluoro(alkyl)pyrenium ions and their tetrahydro and hexahydro derivatives in superacid media (1993) (16)
- Long-range deuterium isotope effects on (13)C chemical shifts of intramolecularly hydrogen-bonded N-substituted 3-(cycloamine)thiopropionamides or amides: a case of electric field effects. (2007) (16)
- 10-Hydroxybenzo[ h ]quinoline: switching between single- and double-well proton transfer through structural modifications (2015) (16)
- Conformational and tautomeric eccentricities of 2‐acetyl‐1,8‐dihydroxynaphthalenes (2007) (16)
- A concept for stimulated proton transfer in 1-(phenyldiazenyl)naphthalen-2-ols (2018) (16)
- Isotope effects on chemical shifts as a tool in structural studies (1996) (16)
- Deuterium isotope effects on 14N and 15N nuclear shielding in simple nitrogen‐containing compounds (1985) (15)
- A spectrochemometric approach to tautomerism and hydrogen-bonding in 3-acyltetronic acids (2006) (15)
- A Reinvestigation of One-Bond Deuterium Isotope Effects on Nitrogen and on Proton Nuclear Shielding for the Ammonium Ion. (1989) (15)
- Protonation and sulfinylation of isomeric isopropylpyrenes, 2,7-di-tert-butylpyrene, and tetracyclohexyl- and tetracyclopentylpyrenes: remarkably stable, sterically crowded pyrenium cations (1991) (15)
- The structure of the phototransformation product of monothiodibenzoylmethane (2001) (15)
- Stable Ion Studies of the Chrysene Skeleton. Protonation of Chrysene, 6-Halochrysenes, 6-Acetylchrysene, and 4H-Cyclopenta[def]chrysene: NMR Studies of Charge Distribution in Chrysenium Cations and AM1 Calculations (1997) (15)
- Cathodic t-Butylation of Pyrene. (1976) (15)
- Polycyclic aromatic hydrocarbon solute probes Part XII: Dissimilar fluorescence excitation/emission behavior between alkylpyrene and alkylcoronene derivatives and the parent pah molecule (1996) (15)
- Intramolecular hydrogen bonding in 8-quinolinol N-oxides, quinaldinic acid N-oxides and quinoline-2-carboxyamide N-oxide. Deuterium isotope effects on 13C chemical shifts (1997) (15)
- Long‐range deuterium isotope effects on 13C chemical shifts of intramolecularly hydrogen‐bonded compounds. Purpurogallins (1993) (14)
- Carbon–carbon coupling constants of 1‐phenylazo‐2‐naphthol and 2‐phenylazo‐1‐naphthol obtained by the SEMINA‐1 technique (1986) (14)
- Assignment of the ligating nitrogen in o,o'-dihydroxyazoarene complexes of nickel-, palladium-, and platinum(II) by 1H and 13C NMR spectroscopy (1994) (14)
- Structural studies on Mannich bases of 2-Hydroxy-3,4,5,6-tetrachlorobenzene. An UV, IR, NMR and DFT study. A mini-review (2016) (14)
- 13C, 13C coupling constants in anthracene, 9,10‐dihydroanthracene and phthalic acid derivatives. Determination of signs by the symmetrical double labelling (SDL) method V (1979) (14)
- 13CC13 coupling constants in dimethyl phthalate and phthalic anhydride. Determination of signs—III (1976) (14)
- A Simple, Effective, Green Method for the Regioselective 3-Acylation of Unprotected Indoles (2015) (14)
- Substituent Conformational effects in vicinal13C?13C spin-spin coupling constants (1979) (14)
- A new chromanone acid from the bark of Calophyllum dryobalanoides (2012) (14)
- NMR of a series of novel hydroxyflavothiones (2009) (14)
- A New Flavone Glycoside From Lumnitzera littorea with In Vitro α-Glucosidase Inhibitory Activity (2019) (14)
- Stable ion study of regioisomeric carboxonium-substituted pyrenium ions: directive effects, charge delocalization mode, and conformational aspects. (2000) (13)
- Long‐range deuterium isotope effects in tautomeric β‐thioxoketones. A 1H and 13C NMR study (1991) (13)
- Ultrasound assisted synthesis of 5,9-dimethylpentadecane and 5,9-dimethylhexadecane--the sex pheromones of Leucoptera coffeella. (2007) (13)
- Deuterium Isotope Effects on 13C-NMR Chemical Shifts of 10-Hydroxybenzo[h]quinolines (2013) (13)
- Automerization of pyrene a test for the mechanism of naphthalene automerization (1982) (13)
- The effect of 4-tert-butylpyridine and Li+ on the thermal degradation of TiO2 – bound ruthenium dye N719 (2012) (13)
- Factor analysis of deuterium isotope effects on 13C NMR chemical shifts in Schiff bases. (2005) (13)
- Oxidation of sterically crowded alkyl(cycloalkyl)pyrenes. Persistent dications in SbF5/SO2ClF and radical cations in FSO3H/SO2 (1993) (13)
- Infrared Spectra of Pyrene Derivatives. Relation to the Substitution Pattern. (1981) (13)
- 2DeltaH(D) and 1DeltaN(D) Isotope Effects on Nuclear Shielding of Ammonium Ions in Complexes with Crown Ethers and Cryptands. (1993) (12)
- The possible tautomerism of the potential rotary switch 2-(2-(2-Hydroxy-4-nitrophenyl)hydrazono)-1-phenylbutane-1,3-dione (2017) (12)
- Sixteen 13C-19F Spin-Spin Coupling Constants in the 13C NMR Spectrum of 1-Fluoropyrene (C16H9F). (1972) (12)
- Methodological problems in determining TCAA in soils-the discovery of novel natural trichloroacetyl containing compounds and their interference with a common method for determining TCAA in soil and vegetation. (2010) (12)
- Searching Conformational Space in Flexible Molecules Using NOEs and Molecular Modeling (1995) (11)
- Computational Prediction of 1 H and 13 C NMR Chemical Shifts for Protonated Alkylpyrroles: Electron Correlation and Not Solvation is the Salvation. (2018) (11)
- Dye-sensitized solar cells and complexes between pyridines and iodines. A NMR, IR and DFT study. (2012) (11)
- Ring current and anisotropy effects on OH chemical shifts in resonance-assisted intramolecular H-bonds (2018) (11)
- The application of high‐performance liquid chromatography humic acid columns in determination of Koc of polycyclic aromatic compounds (2003) (11)
- Reactivity and diastereoselectivity of Michael additions of amines to achiral α,β-unsaturated thioamides (2001) (11)
- 17O chemical shifts and deuterium isotope effects on 13C chemical shifts of intramolecularly hydrogen‐bonded compounds (1998) (11)
- Isotopic Perturbation of Equilibrium in 2,6-Dihydroxybenzoyl Compounds. A 13C and 1 H NMR Investigation. (1988) (10)
- Molecular structure and intramolecular hydrogen bond strength of 3-methyl-4-amino-3-penten-2-one and its N Me and N-Ph substitutions by experimental and theoretical methods (2019) (10)
- Intramolecular Hydrogen Bonds in Normal and Sterically Compressed o-Hydroxy Aromatic Aldehydes. Isotope Effects on Chemical Shifts and Hydrogen Bond Strength (2019) (10)
- The role of ring substituents on hydrogen bonding of 5-cyano-2-hydroxyacetophenone and 2-hydroxy-4-methoxy-5-nitroacetophenone in the ground and excited states (2007) (10)
- HUMIC SUBSTANCES AND HUMIFICATION (2000) (10)
- Mono- and diprotonation of dihydropyrene, 2,7-di-tert-butyl-dihydropyrene, and their conversion to pyrenium ions; Influence of the radical cation and its potential utility in NMR assignments of the arenium ions of readily oxidizable PAHs (1996) (10)
- Oliveridepsidones A–D, antioxidant depsidones from Garcinia oliveri (2012) (10)
- Monothiodibenzoylmethane : Structural and vibrational assignments (2007) (10)
- Isotope effects on chemical shifts in tautomeric systems with double proton transfer: Citrinin (1998) (10)
- Deuterium Isotope Effects on Carbonyl Carbon Chemical Shifts of BPTI. Hydrogen Bonding and Structure Determination in Proteins. (1989) (10)
- A Reinvestigation of the Ionic Liquid Diisopropylethylammonium Formate by NMR and DFT Methods. (2016) (10)
- Photochromism in p-methylbenzoylthioacetone and related β-thioxoketones (2007) (9)
- Data for the characterization of the geometrical isomers of β‐sulphinylenamines (1994) (9)
- NMR Investigations on Pyrene. The 13C-H Satellite Spectrum. Calculation of Coupling Constants. (1971) (9)
- Deuterium isotope effects on 13C chemical shifts of nitromalonamide (2008) (9)
- Nitration of isopropylpyrenes. Strained models for protonation and transfer-nitration in the condensed phase (1992) (9)
- 1,1′,1′′-(2,4,6-Trihydroxybenzene-1,3,5-triyl)triethanone tautomerism revisited (2014) (9)
- Protonation of benzo[a]pyrene dibenzo[a,e]pyrene and benzo[e]pyrene in superacids: NMR studies of charge distribution in persistent arenium ions and AM1 calculations (1995) (9)
- One‐bond carbon–carbon spin–spin coupling constants: A data summary (1981) (9)
- Deuterium Isotope Effects of 0-Hydroxythioamides, Thiazolines and 5-Acyl-2-thiobarbituric Acids (2000) (9)
- 13C-NMR chemical shift databases as a quick tool to evaluate structural models of humic substances (2010) (9)
- Determination of tautomeric phenotypes of β‐thioxo esters and characterization of the tautomeric enethiolic constituents by means of 13C NMR spectroscopy (1984) (8)
- Ab initio calculations of external charge effects on the isotropic 13C, 15N and 17O nuclear shieldings of amides☆ (1994) (8)
- Synthesis of the N-Allylthioamide Derivatives of Cyclic Oxo- (III) and Dioxo-Acids (VI) and Their Cyclization to the Derivatives of 4,5-Dihydrothiazole. (2001) (8)
- Microwave-Assisted Facile and Rapid Friedel–Crafts Benzoylation of Arenes Catalyzed by Bismuth Trifluoromethanesulfonate (2014) (8)
- Chemical constituents of Geum urbanum L. roots (2018) (8)
- Photochromism and polarization spectroscopy of p-methyl(thiobenzoyl)acetone (2006) (8)
- Letter to the Editor: Sequence-specific resonance assignments of the potent cytolysin equinatoxin II (2000) (8)
- 1H NMR Spin‐echo Spectroscopy of Human Erythrocytes. Transformation of Exogenous Compounds (1990) (8)
- Structural studies of the chemical constituents of Tithonia tagetiflora Desv. (Asteraceae) (2013) (8)
- First examples of fluorinated and chlorinated polycyclic aromatic hydrocarbons (PAH) dications from benzo[a]pyrene, pyrene and their alkyl-substituted derivatives (1998) (8)
- 13C-NMR Chemical Shift Databases as a Quick Tool to Evaluate Structural Models of Humic Substances~!2010-01-15~!2010-02-02~!2010-06-18~! (2010) (8)
- Structural Studies of β-Diketones and Their Implications on Biological Effects (2021) (8)
- A Spectroscopic Overview of Intramolecular Hydrogen Bonds of NH…O,S,N Type (2021) (8)
- Arresting consecutive steps of a photochromic reaction: studies of β-thioxoketones combining laser photolysis with NMR detection. (2014) (7)
- NMR and IR Spectroscopy of Phenols (2005) (7)
- Structure elucidation of four new megastigmanes from Sonneratia ovata Backer (2014) (7)
- NMR Studies of Isotope Effects in Compounds with Intramolecular Hydrogen Bonds (2006) (7)
- Determination of the tautomeric equilibria of pyridoyl benzoyl β-diketones in the liquid and solid state through the use of deuterium isotope effects on (1)H and (13)C NMR chemical shifts and spin coupling constants. (2015) (7)
- Deuterium isotope effects on 13C and 15N chemical shifts of intramolecularly hydrogen-bonded enaminocarbonyl derivatives of Meldrum’s and Tetronic acid (2010) (7)
- Synthesis and characterization of nickel-, palladium-and platinum(II) complexes of three o,o'-dihydroxydiarylazo dyes : Determination of the coordination geometry of this comprehensive series of tridentate diaryl dye complexes by combining results from NMR and X-ray experiments with theoretical ab i (2006) (7)
- Cellular Uptake and Intracellular Phosphorylation of GS-441524: Implications for Its Effectiveness against COVID-19 (2021) (7)
- Secondary thioamide group deformations in different surroundings: The case of intramolecular NH···N hydrogen bond – An X-ray study combined with theoretical calculations (2008) (7)
- Mono- and di-nitroalkyl-(cycloalkyl-)pyrenes in superacid media: dihydroxyiminium-(oxoiminium-)pyrenium dications; cyclisation to long-lived oxazoline-(and 1,2-oxazine-)pyrenium ions, ring opening to form nitrosoalkylpyrenium and nitroso radical cation salts with unprecedented stability (1995) (6)
- Comment on “Spectroscopic studies of keto–enol tautomeric equilibrium of azo dyes” by M. A. Rauf, S. Hisaindee and N. Saleh, RSC Adv., 2015, 5, 18097 (2015) (6)
- Carbon‐carbon [nJ(CO, C)] and carbon‐fluorine coupling constants [nJ(CF)] of ortho‐substituted benzoic acids and acid fluorides: INDO‐SOS calculations and evaluation of rotational effects (1987) (6)
- Hydrogen bonds in “push-pull” enamines (2004) (6)
- Two-dimensional 1H- and 13C-NMR spectra of some azo dyes containing amino or acetamido groups (1989) (6)
- NMR, MP2, and DFT study of thiophenoxyketenimines (o‐thio‐Schiff bases): Determination of the preferred form (2018) (6)
- Greener Friedel-Crafts Acylation using Microwave-enhanced reactivity of Bismuth Triflate in the Friedel-Crafts Benzoylation of Aromatic Compounds with Benzoic Anhydride (2017) (6)
- New deuterium isotope effects on 13C and 19F chemical shifts across intramolecular hydrogen bonds of non-resonance assisted systems (2005) (6)
- Methods to Distinguish Tautomeric Cases from Static Ones (2016) (6)
- Isotope Effects on Chemical Shifts as a Tool in the Study of Tautomeric Equilibria (2013) (6)
- NH Stretching Frequencies of Intramolecularly Hydrogen-Bonded Systems: An Experimental and Theoretical Study (2021) (5)
- Formation of sec-alkylpyrenes by Friedel-Crafts and cathodic alkylation methods. Structure and spectroscopic properties of products. Catalytic hydrogenation of pyrene and some alkyl-pyrenes (1986) (5)
- DISSOLVING METAL AND ELECTROCHEMICAL REDUCTION OF POLYCYCLIC AROMATIC HYDROCARBONS (1979) (5)
- Efficient Friedel–Crafts benzoylation of aniline derivatives with 4-fluorobenzoyl chloride using copper triflate in the synthesis of aminobenzophenones (2016) (5)
- 4-Carboxyl-2,6-dinitrophenylazohydroxynaphthalenes tautomerism NMR re-explained and other methods verified (2017) (5)
- The tautomeric equilibrium and stereochemistry of β-sulfonyl enamines (2002) (5)
- Complete Assignment of 1H and 13C NMR Spectra and Conformational Analysis of Thioamide Cannabinoids (1996) (5)
- 1H NMR of compounds with low water solubility in the presence of erythrocytes: effects of emulsion phase separation (2000) (5)
- The importance of correct tautomeric structures for biological molecules (2015) (5)
- Sequence-specific resonance assignments of the potent cytolysin equinatoxin II (2000) (5)
- Application of the HECADE method to the measurement of long‐range heteronuclear 13C,1H spin–spin coupling constants in tautomeric β‐sulfonylenamines (2000) (5)
- The interaction between esfenvalerate and humic substances of different origin (2000) (5)
- Conformational Studies of Phenyl- and (1-Pyrenyl)triarylmethylcarbenium Ions: Semiempirical Calculations and NMR Investigations under Stable Ion Conditions (1998) (5)
- Intramolecular hydrogen bonding of o-hydroxyesters and related compounds evaluated by deuterium isotope effects on 13C chemical shifts and principal component analysis ☆ (2007) (4)
- Theoretical Calculations Are a Strong Tool in the Investigation of Strong Intramolecular Hydrogen Bonds (2019) (4)
- Probing the charge delocalization mode in methyl-, dimethyl- and methylene-bridged phenanthrenium ions. NMR studies of persistent mono- and di-cations and AM1 calculations (1997) (4)
- A natural abundance 15N NMR investigation of bilirubin IX‐α (1984) (4)
- Differences in the structure of anthocyanins from the two amphibious plants, Lobelia cardinalis and Nesaea crassicaulis (2013) (4)
- Molecular structure, intramolecular hydrogen bond strength, vibrational assignment, and spectroscopic insight of 4-phenylamino-3-penten-2-one and its derivatives: A theoretical and experimental study (2021) (4)
- 13C, 1H and two-dimensional NMR studies of charge distribution in sterically congested persistent cycloalkyl- and alkyl-pyrenium ions generated by protonation in superacid media (1994) (4)
- Deuterium isotope effects on 13C chemical shifts of negatively charged NH…N systems (2013) (4)
- NMR of Natural Products as Potential Drugs (2021) (4)
- Cytotoxic geranylated xanthones and O-alkylated derivatives of alpha-mangostin. (2009) (4)
- Prototropic processes in benzaurins. 19F and 1H NMR spectra of fluoro- and methylsubstituted 4-hydroxyphenyl-diphenylcarbinols, related fuchsones and benzaurins (2011) (4)
- In vitro α-glucosidase inhibitory activity of compounds isolated from mangrove Lumnitzera littorea leaves (2019) (4)
- 13C,13C coupling constants from a mixture of isotopomers (13C) of substituted aromatic compounds; 1‐nitronaphthalenes (1981) (3)
- SEQUENCE AND STRUCTURAL ANALYSIS OF κ‐CARRAGEENAN‐DERIVED OLIGOSACCHARIDES BY TWO‐DIMENSIONAL NUCLEAR MAGNETIC RESONANCE 1 (2010) (3)
- Isomerization and aggregation of 2-(2-(2-hydroxy-4-nitrophenyl)hydrazono)-1-phenylbutane-1,3-dione: Recent evidences from theory and experiment (2019) (3)
- Acetyl cedrene and its follower. An Isotopic, NMR and MS Structure elucidation and deuteriation study (2011) (3)
- Two new sesquiterpenes from the stems of Miliusa velutina (2020) (3)
- Intramolecular Hydrogen Bonding of 5-Acyl-3-methylrhodanines (2008) (3)
- Does an OH or an OD Group Form the Strongest Hydrogen Bond to Oxygen (1987) (3)
- Cytotoxic Geranylated Xanthones and O‐Alkylated Derivatives of α‐Mangostin (2010) (3)
- Synthesis, Structure Elucidation and Cytotoxicity of (+)-Usnic AcidDerivatives on U87MG Glioblastoma Cells (2016) (3)
- Azo-hydrazone molecular switches: Synthesis and NMR conformational investigation. (2021) (3)
- Solution structure of the eukaryotic pore-forming cytolysin equinatoxin II (2002) (2)
- Photoinduced and ground state conversions in a cyclic β-thioxoketone (2021) (2)
- An Efficient and Green Synthesis of 1-Indanone and 1-Tetralone via Intramolecular Friedel—Crafts Acylation Reaction. (2015) (2)
- Secondary Isotope Effects on 13C and 15N Chemical Shifts of Schiff Bases Revisited (2013) (2)
- Derivatives of usnic acid cause cytostatic effect in Caco-2 cells (2020) (2)
- Fast preparation of dihydrocyclocitral from citronellal under solventless microwave irradiation (2005) (2)
- Solution and solid state 13C NMR and X-ray studies of genistein complexes with amines. Potential biological function of the C-7, C-5, and C4'-OH groups. (2003) (2)
- Stability of the oxidized form of RuLL′(NCS)2 dyes in acetonitrile in the presence of water and pyridines – Why the dye-sensitized solar cell electrolyte should be dry (2019) (2)
- Isotope Effects on Chemical Shifts in the Study of Hydrogen Bonds in Small Molecules (2022) (2)
- Strong intramolecular hydrogen bonds and steric effects involving C═S groups: An NMR and computational study (2019) (2)
- First Examples of Fluorinated and Chlorinated Polycyclic Aromatic Hydrocarbon (PAH) Dications from Benzo[a]pyrene, Pyrene, and Their Alkyl‐Substituted Derivatives (1999) (2)
- One‐bond 1J(15N,H) coupling constants at sp2‐hybridized nitrogen of Schiff bases, enaminones and similar compounds: A theoretical study (2020) (2)
- Erbium Trifluoromethanesulfonate Catalyzed Friedel—Crafts Acylation Using Aromatic Carboxylic Acids as Acylating Agents under Monomode-Microwave Irradiation. (2015) (2)
- Low-Temperature IR- and NMR-Studies of 3,3,6,6-Tetramethylcycloheptanone. (1972) (2)
- Intrinsic Deuterium Isotope Effects on NMR Chemical Shifts of Hydrogen Bonded Systems (2002) (2)
- Curcumin analogues for possible cancer treatment A QSAR and partial ordering study (2021) (2)
- Determination of K ow of Substituted Polycyclic Aromatic Compounds (1997) (2)
- Efficient Friedel-Crafts Benzoylation of Aniline Derivatives with 4-Fluorobenzoyl Chloride Using Copper Triflate in the Synthesis of Aminobenzophenones. (2016) (1)
- Author response for "One-bond 1 J ( 15 N,H) coupling constants at sp 2 hybridized nitrogen of Schiff bases, enaminones and similar compounds. A theoretical study" (2020) (1)
- A new sesquiterpene lactone from the leaves of Panax vietnamensis Ha et Grushv. (Vietnamese ginseng). (2022) (1)
- C-13 NMR, X-ray and differential scanning calorimetry investigations of truncated BPTI mutants: salt bridge formation (1998) (1)
- CHEMICAL CONSTITUENTS FROM LEAVES OF SONNERATIA ALBA (2012) (1)
- Aggregation of amphiphilic molecules in water. I. α‐phenylethylamine: 1H and 13C NMR study (1991) (1)
- Tautomerism and biological activity of beta-diketoner, triketoner, beta-ketoesters and beta-ketoamides. A mini review (2017) (1)
- Deuterium Isotope Effects on Chemical Shifts of Ammonium Ions: A Solid State NMR Study (2011) (1)
- The best density functional theory functional for the prediction of 1H and 13C chemical shifts of protonated alkylpyrroles (2021) (1)
- Multi-Step Rearrangement Mechanism for Acetyl Cedrene to the Hydrocarbon Follower† (2017) (1)
- Nuclear magnetic resonance spectroscopy of CC, CO, CN and NN double bonds (2010) (1)
- On Development of Fungicide Tolerance in vitro in Mycogone perniciosa (Magn.) Delacr. and Verticillium fungicola (Preuss) Hassebr (1983) (1)
- Isotope effects on chemical shifts in the study of hydrogen bonded biological systems. (2020) (1)
- Isolation and preparation of cytotoxic chromanone acids from the bark of Calophyllum dongnaiense (2009) (1)
- Stable Ion Studies of the Chrysene Skeleton. Protonation of Chrysene, 6‐Halochrysenes, 6‐Acetylchrysene, and 4H‐Cyclopenta(def)chrysene: NMR Studies of Charge Distribution in Chrysenium Cations and AM1 Calculations. (1997) (1)
- Structure of a new usnic acid derivative from a deacylating Mannich reaction: NMR studies supported by theoretical calculations of chemical shifts (2018) (1)
- Tautomerism of Pyridinylbutane-1,3-diones. An NMR and DFT study. (2023) (0)
- Nuclear magnetic resonance of acids and acid derivatives (2010) (0)
- Triterpenoids from the leaves of Ilex kaushue S.Y.HU (Aquifoliaceae) (2009) (0)
- Indium Triflate in 1-Isobutyl-3-methylimidazolium Dihydrogen Phosphate (IOL): An Efficient and Green Catalytic System for Friedel—Crafts Acylation. (2015) (0)
- Synthesis and Anti-HIV Activity of 5-Alkoxymethyl-3′-azido-2′,3′- dideoxyuridines. (1993) (0)
- An Efficient and Green Method for Regio‐ and Chemo‐Selective Friedel—Crafts Acylations Using a Deep Eutectic Solvent ([CholineCl][ZnCl2]3). (2016) (0)
- Deuterium isotope effects of omikron-hydroxythioamides, 2 delta--thiazolines and 5-acyl-2-thiobarbituric acids (2000) (0)
- Oliveridepsidone A-D, four new prenylated depsidones from the bark of Garcinia Olivieri (2008) (0)
- NMR Spectroscopy of Carbon-Carbon, Carbon-Oxygen, Carbon-Nitrogen, and Nitrogen-Nitrogen Double Bonds (1991) (0)
- Reversed phase HPLC used for the determination of partition coefficients (1995) (0)
- Charge Delocalization Pathways in Persistent 1‐Pyrenyl‐, 4‐Pyrenyl‐, and 2‐Pyrenylmethylcarbenium Ions as Models of PAH‐Epoxide Ring Opening: NMR Studies in Superacids and AM1 Calculations. (1998) (0)
- Some Triterpenoid and Phenolic compounds from the leaves of Sonneration Alba J.E.Smith and their acetylesterase inhibition (2011) (0)
- IR OF PYRENE DERIVATIVES. RELATION TO THE SUBSTITUTION PATTERN (1981) (0)
- Isolation and Determination of Phenolics from the Bark of Calophyllum calaba L. var. bracteatum (Wight) Stevens (2008) (0)
- Tautomerism of β-Diketones and β-Thioxoketones (2023) (0)
- Structure Identification of Novel Compounds Using Simple IR, 1 H, and 13 C NMR Spectroscopy and Computational Tools (2019) (0)
- Isotope effects on C-13 and N-15 chemical-shifts in proteins from electric-field effects (1995) (0)
- quinoline : switching between single-and double-well proton transfer through structural modi fi cations (2015) (0)
- One-bond C-H coupling constants of acetyl groups as possible monitors of ch hydrogen bonds and electric field effects (2003) (0)
- Tautomerism in Alicyclic Lactams: Six-Membered Rings 13 2.4 Tautomerism in Alicyclic Lactams: 2-Pyrrolidinone 14 2.5 Tautomerism in Other Five-Membered Ring Lactams 16 2.6 Tautomeric Ratios Requiring Computation: Alicyclic β-Diketones 17 2.7 Tautomeric Ratios Requiring Computation: “Maleic Hydrazide (2016) (0)
- The Best DFT Functional for the Prediction of 1H and 13C Chemical Shifts of Protonated Alkylpyrroles (2021) (0)
- Hydrogen bonding - a key modeling parameter in nano and bio-systems (2014) (0)
- CHEMICAL CONSTITUENTS FROM LEAVES OF SONNERATIA ALBA J.E. SMITH (SONNERATIACEAE) (2011) (0)
- Calobixanthone, a New bis-Xanthone from the Bark of Calophyllum dongnaiense (2007) (0)
- Carbon-Carbon Coupling Constants: Data (108 Literaturangaben). (1982) (0)
- Intramolecular Hydrogen Bonding and Tautomerism of Acylpyran-2,4- diones, -2,4,6-triones and Acylpyridinediones and Benzanellated Derivatives. Deuterium Isotope Effects on 13C NMR Chemical Shifts. (1996) (0)
- Microwave-Assisted Facile and Rapid Friedel—Crafts Benzoylation of Arenes Catalyzed by Bismuth Trifluoromethanesulfonate. (2015) (0)
- Deuterium Isotope effects on 17-O chemical shifts of intramolecularly bonded systems (1999) (0)
- NMR of complex, heterogenous structures exemplified by humic substances. (2020) (0)
- Marine Bromophenols, synthesis, biological effects (2020) (0)
- Tautomerism detected by NMR (2020) (0)
- Partitioning of polycyclic aromatic compounds between soot particles and water studied by applying natural aromatic macromolecules as model substrates for soot particles (1997) (0)
- Vibrational spectra, conformation and molecular transport of 5-amino-2,2,6,6-tetramethyl-4-hepten-3-one (2022) (0)
- Isolation and Biological Testing of Constituents from Ilex kaushue S.Y.Hu (Aquifoliaceae) Vietnam (2019) (0)
- Resonance assisted hydrogen bonding (RAHB). What is the evidence using Isotopes (2010) (0)
- Editorial [Hot Topic:Polyphenols(Guest Editor: Poul Erik Hansen)] (2009) (0)
- Isotope Effects on Nuclear Shielding as a Means of Studying Solute-Solvent Interactions (1987) (0)
- Isotopic Perturbation of Equilibrium in 2,6-Dihydroxybenzoyl Compounds. A 13C and 1H NMR Investigation (1989) (0)
- Protonation of Benzo(a)pyrene, Dibenzo(a,e)pyrene and Benzo(e)pyrene in Superacids: NMR Studies of Charge Distribution in Persistent Arenium Ions and AM1 Calculations (2010) (0)
- Synthesis, molecular structure, conformational, and intramolecular hydrogen bond strength of ethyl 3-amino-2-butenoate and its N-Me, N-Ph, and N-Bn analogs; an experimental and theoretical study (2022) (0)
- Hydrogen bonding and tautomerism of natural products. Use of deuterium isotope effects on chemical shifts and ab initio calculations in structural studies (2010) (0)
- Formation of sec‐Alkylpyrenes by Friedel‐Crafts and Cathodic Alkylation Methods. Structure and Spectroscopic Properties of Products. Catalytic Hydrogenation of Pyrene and Some Alkylpyrenes. (1987) (0)
- formations of piroxicam in solution : a combined experimental and theoretical study † (2015) (0)
- Carbon-Carbon Coupling Constants: Discussion (192 Literaturangaben). (1982) (0)
- Ammonium Ions: A Solid State NMR Study (2014) (0)
- NMR structure of a DNA duplex with two INA nucleotides inserted opposite each other, dCTCAACXCAAGCT:dAGCTTGXGTTGAG (2004) (0)
- Protic ionic liquids, their constitution, properties and use (2014) (0)
- Reactivity and Diastereoselectivity of Michael Additions of Amines to Achiral α,β-Unsaturated Thioamides. (2002) (0)
- Further Insight via 15N NMR Spectroscopy into the Reactive Intermediates Formed by Superacid Protonation of Crowded Nitro‐PAHs: Persistent Dihydroxyiminiumpyrenium and Hydroxyiminiumpyrenium Dications. (1998) (0)
- Structure Elucidation and Biological Effects of Carrageenans from Red Algae (2013) (0)
- Assignment of the natural abundance carbon-13 spectrum of proteins using carbon-13-proton detected heteronuclear multiple-bond correlation NMR spectroscopy: structural information and stereospecific assignments from two- and three-bond carbon-hydrogen coupling constants. [Erratum to document cited i (1992) (0)
- Deuterium Isotope Effects on Nuclear Shielding. Directional Effects and Nonadditivity in Acyl Derivatives (1986) (0)
- Flavonoid Content in Vietnamese Tea (2006) (0)
- Easy prediction of primary and secondary deuterium isotope effects on chemical shifts of intramolecularly hydrogen bonded systems (2012) (0)
- Greener Friedel-Crafts Acylations (2016) (0)
- Structure of protic ionic liquids studies by NMR, IR and DFT calculations. An isotope effect study (2014) (0)
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