Related references
Note: Only part of the references are listed.The Prediction of Amino Proton Chemical Shifts Using Optimally Selected Wave Function
Hoora Shaghaghi et al.
CONCEPTS IN MAGNETIC RESONANCE PART A (2011)
Gauge invariant atomic orbital-density functional theory prediction of accurate gas phase 1H and 13C NMR chemical shifts
Hossein Pasha Ebrahimi et al.
CONCEPTS IN MAGNETIC RESONANCE PART A (2011)
PREDICTION OF P-31-NMR CHEMICAL SHIFTS USING EMPIRICAL MODELS WITH MODEST METHODS AND OPTIMALLY SELECTED BASIS SETS
Mohsen Tafazzoli et al.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS (2011)
NMR spectroscopy: quantum-chemical calculations
Michael Buehl et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
A survey of wave function effects on theoretical calculation of gas phase F-19 NMR chemical shifts using factorial design
H. Shaghaghi et al.
JOURNAL OF FLUORINE CHEMISTRY (2010)
19F NMR applications in chemical biology
Steven L. Cobb et al.
JOURNAL OF FLUORINE CHEMISTRY (2009)
Calculating Accurate Proton Chemical Shifts of Organic Molecules with Density Functional Methods and Modest Basis Sets
Rupal Jain et al.
JOURNAL OF ORGANIC CHEMISTRY (2009)
19F Chemical Shift of Crystalline Metal Fluorides: Theoretical Predictions Based on Periodic Structure Models
Anmin Zheng et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Quantitative prediction of gas-phase 19F nuclear magnetic shielding constants
Michael E. Harding et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Further conventions for NMR shielding and chemical shifts (IUPAC recommendations 2008) (Reprinted from Pure Appl. Chem., vol 80, pg 59, 2008)
Robin K. Harris et al.
MAGNETIC RESONANCE IN CHEMISTRY (2008)
Ab initio NMR chemical shift calculations on proteins using fragment molecular orbitals with electrostatic environment
Qi Gao et al.
CHEMICAL PHYSICS LETTERS (2007)
Nuclear magnetic moments from NMR spectra - Experimental gas phase studies and nuclear shielding calculations
Karol Jackowski et al.
CONCEPTS IN MAGNETIC RESONANCE PART A (2007)
A joined theoretical-experimental investigation on the 1H and 13C NMR chemical shifts of chloro-alkenes
Philippe d'Antuono et al.
CHEMICAL PHYSICS LETTERS (2007)
Investigation of pure inductive effects on benzene ring by 13C NMR chemical shifts:: A theoretical study using fictitious nuclear charges of hydrogen atoms ('H* method')
E. Dumont et al.
CHEMICAL PHYSICS LETTERS (2007)
DFT-GIAO calculations of 19F NMR chemical shifts for perfluoro compounds
H Fukaya et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
17O NMR chemical shifts of polyoxides in gas phase and in solution
AA Wu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Quantitative prediction of gas-phase 13C nuclear magnetic shielding constants
AA Auer et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Spin-spin coupling tensors as determined by experiment and computational chemistry
J Vaara et al.
PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2002)
A hybrid quantum mechanical and empirical model for the prediction of isotropic 13C shielding constants of organic molecules
DJ Giesen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
19F NMR chemical shifts.: 1.: Aliphatic fluorides
KB Wiberg et al.
JOURNAL OF ORGANIC CHEMISTRY (2001)
Density functional study of 19F chemical shielding tensors:: a systematic investigation with respect to basis sets and hybrid functionals
JCC Chan et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2001)
Ab initio and density functional calculations of 19F NMR chemical shifts for models of carbonic anhydrase inhibitors
A DerHovanessian et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Share Paper
