About: Two-Bond Spin–Spin Coupling Constants (2hJXY) Across XHY Hydrogen Bonds: Some Fundamental Questions

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description	wetenschappelijk artikel (nl) article scientifique publié en 2005 (fr) im Jahr 2005 veröffentlichter wissenschaftlicher Artikel (de) наукова стаття, опублікована у 2005 (uk) ശാസ്ത്ര പ്രബന്ധം (2005 ജനുവരിയില്‍ പ്രസിദ്ധീകരിച്ചത്) (ml)
publication date	wds:Q61778566-54DED144-D08B-4889-BE98-6D7AF2618F84
publication date	2005-01-01 00:00:00Z (xsd:dateTime)
cites work	wds:Q61778566-03E208E0-857B-42FF-97F9-5BFFA1A8F427 wds:Q61778566-06A38744-5EE0-4BAE-A5C3-2350F2C48BB0 wds:Q61778566-0AF4FF4D-E8B8-4954-84AA-7DB18537A208 wds:Q61778566-1022F252-002D-42EA-BE1A-9A896B847F4F wds:Q61778566-13C0499E-B1C2-43B6-9B2C-40E2C3D43B18 wds:Q61778566-163689D5-D084-41B1-A203-9BC4637669B3 wds:Q61778566-16D645D2-B4A7-4168-B80A-9BFE6A9E40FB wds:Q61778566-21CE177A-E3F3-4600-8E81-68C316343B92 wds:Q61778566-350151C2-3B09-4905-8597-0808E0DCF713 wds:Q61778566-40F6D2B0-34F3-40E6-A314-1263E94C57AB wds:Q61778566-41A1DB2A-2BF6-4061-8921-DC1C7F683FCE wds:Q61778566-4B33A9B9-7D60-4AC4-BC99-74B8A163548B wds:Q61778566-4DA2FE11-12B6-410B-82D5-80FAAEEC7BCF wds:Q61778566-5A7AABB2-DA52-4A53-AC96-8A03A436E218 wds:Q61778566-5D932580-52B8-4824-B6A1-B14124488CF3 wds:Q61778566-5E9C7BBC-AF63-466D-9801-9E25B658CE00 wds:Q61778566-5FBCEA50-B73B-43C0-97B1-F880AEC40C6A wds:Q61778566-604209CB-49E5-4885-9CC2-E40EEDB5B74E wds:Q61778566-6EF63B82-C299-4595-8753-14EE36F77E2A wds:Q61778566-72EC071F-1E24-41E8-9594-2F5E1BE88DCB wds:Q61778566-7325F442-FADF-494F-9BD7-B29C55DD7609 wds:Q61778566-75BE149E-F22F-403E-BAA0-93B4FD5427F7 wds:Q61778566-775FE5E3-B408-43C9-9727-8F3A11C433BE wds:Q61778566-7943D3C2-6A5D-4FBC-97D2-C332632D260D wds:Q61778566-7B97D96F-A81B-4BC3-AC14-55B4437A24CB wds:Q61778566-7D786491-EC00-44CC-A8DC-8C870C7E3C15 wds:Q61778566-8A429740-509E-48DF-8A02-AF3D49191F32 wds:Q61778566-A1705DEE-1578-4071-940C-7160394FD6F2 wds:Q61778566-A31C1F8D-F7C4-446C-85DD-BDCD1806A9FE wds:Q61778566-B323168A-F619-480B-A1EE-B507FB9A86E4 wds:Q61778566-B960D6EE-8582-4D36-B0B6-0090513B2CD2 wds:Q61778566-C19E3D13-90AF-4DE0-AFD8-9F2824F1CE9A wds:Q61778566-CBCCACC8-84ED-4BE9-AEAA-A59B8FE8F8EF wds:Q61778566-D0DB418E-A5B9-4AA6-872B-299D9D417744 wds:Q61778566-DE08B652-2D73-49C4-B530-D9E72EEDBA24 wds:Q61778566-FC6B63D1-A72F-4652-9E53-19EAF670E8AF
cites work	Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen A DFT study of the interresidue dependencies of scalar J-coupling and magnetic shielding in the hydrogen-bonding regions of a DNA triplex. Predicted NMR Coupling Constants Across Hydrogen Bonds: A Fingerprint for Specifying Hydrogen Bond Type? 19F-19F spin-spin coupling constant surfaces for (HF)2 clusters: the orientation and distance dependence of the sign and magnitude of J(F-F). Approximate fourth-order perturbation theory of the electron correlation energy Solid State15N NMR and Theoretical Studies of Primary and Secondary Geometric H/D Isotope Effects on Low-Barrier NHN−Hydrogen Bonds Two-Bond13C−15N Spin−Spin Coupling Constants (2hJC-N) Across C−H−N Hydrogen Bonds† Two-Bond15N−19F Spin−Spin Coupling Constants (2hJN-F) across N−H+...F Hydrogen Bonds Two-Bond19F−15N Spin−Spin Coupling Constants (2hJF-N) across F−H···N Hydrogen Bonds What determines the sign of the Fermi-contact contribution to the NMR spin–spin coupling constant? Interpreting2hJ(F,N),1hJ(H,N) and1J(F,H) in the hydrogen-bonded FH-collidine complex To What Extent Do External Fields and Vibrational and Isotopic Effects Influence NMR Coupling Constants Across Hydrogen Bonds? Two-Bond Cl−N Spin−Spin Coupling Constants (2hJCl-N) in Model ClH:NH3Complexes Relating Environmental Effects and Structures, IR, and NMR Properties of Hydrogen-Bonded Complexes: ClH:Pyridine Vibrational averaging of NMR properties for an N–H–N hydrogen bond Vibrational Effects on the F−F Spin−Spin Coupling Constant (2hJF-F) in FHF-and FDF- N−N Spin−Spin Coupling Constants [2hJ(15N−15N)] Across N−H···N Hydrogen Bonds in Neutral Complexes: To What Extent Does the Bonding at the Nitrogens Influence2hJN-N? Vibrational Spectroscopic and NMR Properties of Hydrogen-Bonded Complexes: Do They Tell Us the Same Thing? H/D isotope effects on the low-temperature NMR parameters and hydrogen bond geometries of (FH)2F−and (FH)3F−dissolved in CDF3/CDF2Cl Nuclear Scalar Spin−Spin Couplings and Geometries of Hydrogen Bonds Scalar coupling across the hydrogen bond in 1,3- and 1,4-diols Geometric dependence of (3h)J((31)P-(15)N) and (2h)J((31)P-(1)H) scalar couplings in protein-nucleotide complexes Predicted signs of reduced two-bond spin-spin coupling constants (2hKX-Y) across X-H-Y hydrogen bonds. The direct detection of a hydrogen bond in the solid state by NMR through the observation of a hydrogen-bond mediated (15)N [bond] (15)N J coupling Spin–spin coupling tensors as determined by experiment and computational chemistry Determining hydrogen-bond strengths in the solid state by NMR: the quantitative measurement of homonuclear J couplings Computed Spin−Spin Coupling Constants (1JX-Y) in Molecules HmX−YHnfor X and Y =13C,15N, and31P: Comparisons with Experiment and Insights into the Signs of1JX-Y Two-Bond Spin−Spin Coupling across a Hydrogen Bond: X−Y Coupling in the Presence and Absence of the Proton Correlated calculations of indirect nuclear spin-spin coupling constants for XH4 (X = Si, Ge, and Sn) Influence of the temperature-dependent dielectric constant on the H/D isotope effects on the NMR chemical shifts and the hydrogen bond geometry of the collidine-HF complex in CDF3/CDClF2 solution Hydrogen/Deuterium-Isotope Effects on NMR Chemical Shifts and Symmetry of Homoconjugated Hydrogen-Bonded Ions in Polar Solution Hydrogen/Deuterium Isotope Effects on the NMR Chemical Shifts and Geometries of Intermolecular Low-Barrier Hydrogen-Bonded Complexes Modeling 2hJiso(N, N) in nucleic acid base pairs: ab initio characterization of the 2hJ(N, N) tensor in the methyleneimine dimer as a function of hydrogen bond geometry Intermolecular 2hJNN coupling in multiply hydrogen-bonded ureidopyrimidinone dimers in solution Nuclear Scalar Spin-Spin Coupling Reveals Novel Properties of Low-Barrier Hydrogen Bonds in a Polar Environment Scalar coupling constants across the intramolecular NHN hydrogen bond of symmetrically and non-symmetrically substituted 6-aminofulvene-1-aldimines Iminophosphorane-substituted proton sponges. Part 4. Comparison of X-ray molecular structures with solution properties (pKa,1H and13C NMR spectroscopy)
author name string	wds:Q61778566-BE10916E-5270-44F1-A86A-773E27460090 wds:Q61778566-D00EED54-E242-452C-978C-5345F6E81095
author name string	José Elguero Janet E. Del Bene
rdfs:label	Two-Bond Spin–Spin Coupling Constants (2hJXY) Across XHY Hydrogen Bonds: Some Fundamental Questions (en) Two-Bond Spin–Spin Coupling Constants (nl)
skos:prefLabel	Two-Bond Spin–Spin Coupling Constants (2hJXY) Across XHY Hydrogen Bonds: Some Fundamental Questions (en) Two-Bond Spin–Spin Coupling Constants (nl)
name	Two-Bond Spin–Spin Coupling Constants (2hJXY) Across XHY Hydrogen Bonds: Some Fundamental Questions (en) Two-Bond Spin–Spin Coupling Constants (nl)
author	wds:Q61778566-3717FB65-84A1-4390-B396-65545E2ADBA2
author	Janet E. Del Bene
title	wds:Q61778566-CE7AD038-0DBF-439C-B748-535FA5079DC2
title	Two-Bond Spin–Spin Coupling Constants (2hJXY) Across XHY Hydrogen Bonds: Some Fundamental Questions (en)
page(s)	wds:Q61778566-D7D9D5BA-E1E4-4F21-BE0F-FA661E4D211C
page(s)	23-35
instance of	wds:Q61778566-523416BF-082A-4293-8A27-8F1FECB7DABE
instance of	scholarly article
published in	wds:Q61778566-7EA97159-1E4D-4FAF-9051-42EB097BC582
published in	Advances in Quantum Chemistry

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