(Q60495059)

Blue-Shifting Hydrogen Bonds.

21 January 2018

1 reference

Theoretical Investigation of the Relationship between Proton NMR Chemical Shift and Hydrogen Bond Strength

21 January 2018

1 reference

Nuclear Scalar Spin−Spin Couplings and Geometries of Hydrogen Bonds

21 January 2018

1 reference

Predicted NMR Coupling Constants Across Hydrogen Bonds: A Fingerprint for Specifying Hydrogen Bond Type?

21 January 2018

1 reference

Identification of the Hydrogen Bonding Network in a Protein by Scalar Couplings

21 January 2018

1 reference

Observation of through-hydrogen-bond 2hJHC' in a perdeuterated protein

21 January 2018

1 reference

Estimation of the Fermi contact contribution to the xenon-hydrogen and xenon-xenon spin-spin coupling constants

21 January 2018

1 reference

DFT Calculation of Intermolecular Nuclear Spin-Spin Coupling in van der Waals Dimers

21 January 2018

1 reference

Weak intramolecular proton-hydride and proton-fluoride interactions: experimental (NMR, X-ray) and DFT studies of the bis(NBH(3)) and bis(NBF(3)) adducts of 1,3-dimethyl-1,3-diazolidine.

21 January 2018

1 reference

Factors Affecting the Strength of N-H.cntdot..cntdot..cntdot.H-Ir Hydrogen Bonds

21 January 2018

1 reference

Dihydrogen bonding: structures, energetics, and dynamics

21 January 2018

1 reference

Ab Initio Study of the Structural, Energetic, Bonding, and IR Spectroscopic Properties of Complexes with Dihydrogen Bonds

21 January 2018

1 reference

One-Bond (1dJH-H) and Three-Bond (3dJX-M) Spin−Spin Coupling Constants Across X−H···H−M Dihydrogen Bonds

21 January 2018

1 reference

Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

21 January 2018

1 reference

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

21 January 2018

1 reference

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

Basis-set dependence of nuclear spin-spin coupling constants

21 January 2018

1 reference

A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models

21 January 2018

1 reference

Divergence in Møller–Plesset theory: A simple explanation based on a two-state model

21 January 2018

1 reference

Density functional theory and molecular clusters

21 January 2018

1 reference

Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

21 January 2018

1 reference