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One-Bond Spin−Spin Coupling Constants of X−1H ProtonDonors in Complexes with X−H−Y Hydrogen Bonds, for X =13C, 15N, 17O, and 19F: Predictions, Comparisons, andRelationships among 1JX-H, 1KX-H, and X−H Distances
Matrix Isolation and ab Initio Study of 1:1 Hydrogen-Bonded Complexes of H2O2 with NH3and N(CH3)3
Ab Initio Study of the Structural, Energetic, Bonding, and IR Spectroscopic Properties ofComplexes with Dihydrogen Bonds
On the Relationship between the Preferred Site of Hydrogen Bonding and Protonation
Ab Initio Study of Complexes with Two Cations as N−H Donors to F-: Structures andSpin−Spin Coupling Constants across N−H−F Hydrogen Bonds
Ab Initio Study of Hydrogen Bonding and Proton Transfer in 3:1 FH:NH3 andFH:Collidine Complexes: Structures and One- and Two-Bond Coupling Constants acrossHydrogen Bonds
Computed Spin−Spin Coupling Constants (1JX-Y) in Molecules HmX−YHn for X and Y =13C, 15N, and 31P: Comparisons with Experiment and Insights into the Signs of 1JX-Y
Ab Initio Study of the Influence of Trimer Formation on One- and Two-Bond Spin−SpinCoupling Constants Across an X−H−Y Hydrogen Bond: AH:XH:YH3 Complexes for A, X= 19F, 35Cl and Y = 15N, 31P
Systematic ab Initio Study of 15N−15N and 15N−H Spin−Spin Coupling Constants AcrossN−H+−N Hydrogen Bonds: Predicting N−N and N−H Coupling Constants and RelatingThem to Hydrogen Bond Type
Proton-Bound Homodimers: How Are the Binding EnergiesRelated to Proton Affinities?
Predicted NMR Coupling Constants AcrossHydrogen Bonds: A Fingerprint for SpecifyingHydrogen Bond Type?
Karplus-Type Equations for 1J(X−Y) in Molecules HmX−YHn: (X, Y = N, O, P, S)
Probing P−H+−P Hydrogen Bonds: Structures, Binding Energies, and Spin−SpinCoupling Constants
N−N Spin−Spin Coupling Constants [2hJ(15N−15N)]Across N−H···N Hydrogen Bonds in NeutralComplexes: To What Extent Does the Bonding atthe Nitrogens Influence 2hJN-N?
Does the A·T or G·C Base-Pair Possess Enhanced Stability?Quantifying the Effects of CH···O Interactions and SecondaryInteractions on Base-Pair Stability Using a PhenomenologicalAnalysis and ab Initio Calculations
An ab Initio Study of 15N−11B Spin−Spin Coupling Constants for Borazine and SelectedDerivatives
Matrix Isolation and ab Initio Study of 1:1 Hydrogen-Bonded Complexes of H2O2 with HF,HCl, and HBr
Attacking Boron Nucleophiles: NMR Properties of Five-Membered Diazaborole Rings
Unraveling Environmental Effects on Hydrogen-Bonded Complexes: Matrix Effects on the Structures and Proton-Stretching Frequencies ofHydrogen−Halide Complexes with Ammonia and Trimethylamine
Two-Bond 19F−15N Spin−Spin Coupling Constants (2hJF-N) across F−H···N HydrogenBonds
Two-Bond 13C−15N Spin−Spin Coupling Constants (2hJC-N) Across C−H−N HydrogenBonds
Two-Bond Spin−Spin Coupling across a Hydrogen Bond: X−Y Coupling in the Presenceand Absence of the Proton
Variation of One-bond X−Y Coupling Constants 1J(X−Y) and the Components of 1J(X−Y)with Rotation about the X−Y Bond for Molecules HmX−YHn, with X, Y = 15N, 17O, 31P,33S: The Importance of Nonbonding Pairs of Electrons
Complexes with N−H+−P Hydrogen Bonds: Structures, Binding Energies, and Spin−SpinCoupling Constants
Matrix Isolation and ab Initio Study of 1:1 Hydrogen-Bonded Complexes of H2O2 withPhosphorus and Sulfur Bases
One-Bond (1dJH-H) and Three-Bond (3dJX-M) Spin−Spin Coupling Constants AcrossX−H···H−M Dihydrogen Bonds
Vibrational Spectroscopic and NMR Properties of Hydrogen-BondedComplexes: Do They Tell Us the Same Thing?
Ab Initio EOM-CCSD Spin−Spin Coupling Constants for Hydrogen-Bonded Formamide Complexes: Bridging Complexes with NH3, (NH3)2, H2O, (H2O)2, FH, and (FH)2
Predicted Signs of One-Bond Spin−Spin Coupling Constants (1hJH-Y) across X−H−YHydrogen Bonds for Complexes with Y = 15N, 17O, and 19F
Characterizing Hydrogen Bonding and Proton Transfer in 2:1 FH:NH3 and FH:CollidineComplexes through One- and Two-Bond Spin−Spin Coupling Constants across HydrogenBonds
HC⋮P and H3C−C⋮P as Proton Acceptors in Protonated Complexes Containing TwoPhosphorus Bases: Structures, Binding Energies, and Spin−Spin Coupling Constants
Spin−Spin Coupling across Intermolecular F−Cl···N Halogen Bonds
3hJ(15N−31P) Spin−Spin Coupling Constants acrossN−H···O−P Hydrogen Bonds
Relating Environmental Effects and Structures, IR, and NMR Properties ofHydrogen-Bonded Complexes: ClH:Pyridine
Vibrational Effects on the F−F Spin−Spin Coupling Constant (2hJF-F) in FHF- and FDF-
To What Extent Do External Fields and Vibrational and Isotopic Effects Influence NMRCoupling Constants Across Hydrogen Bonds? Two-Bond Cl−N Spin−Spin CouplingConstants (2hJCl-N) in Model ClH:NH3 Complexes
Two-Bond 15N−19F Spin−Spin Coupling Constants (2hJN-F) across N−H+...F HydrogenBonds
Can Changes in One-bond Spin−spin Coupling Constants in Acids Be Related to Gas-PhaseProton Affinities of Bases?
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