Accurate ab initio calculations of O–H⋯ O and O–H⋯− O proton chemical shifts: towards elucidation of the nature of the hydrogen bond and prediction of hydrogen …

MG Siskos, AG Tzakos, IP Gerothanassis - Organic & Biomolecular …, 2015 - pubs.rsc.org
The inability to determine precisely the location of labile protons in X-ray molecular
structures has been a key barrier to progress in many areas of molecular sciences. We …
被引用次数：76 相关文章

Accurate ab initio calculations of O–H⋯ O and O–H⋯− O proton chemical shifts: towards elucidation of the nature of the hydrogen bond and prediction of hydrogen …

MG Siskos, AG Tzakos, IP Gerothanassis - Organic & Biomolecular …, 2015 - Elsevier
The inability to determine precisely the location of labile protons in X-ray molecular
structures has been a key barrier to progress in many areas of molecular sciences. We …

Accurate ab initio calculations of O-HO and OH (-) O proton chemical shifts: towards elucidation of the nature of the hydrogen bond and prediction of hydrogen bond …

MG Siskos, AG Tzakos… - Organic & …, 2015 - pubmed.ncbi.nlm.nih.gov
The inability to determine precisely the location of labile protons in X-ray molecular
structures has been a key barrier to progress in many areas of molecular sciences. We …

Accurate ab initio calculations of O-HO and OH (-) O proton chemical shifts: towards elucidation of the nature of the hydrogen bond and prediction of hydrogen bond …

MG Siskos, AG Tzakos… - Organic & Biomolecular …, 2015 - europepmc.org
The inability to determine precisely the location of labile protons in X-ray molecular
structures has been a key barrier to progress in many areas of molecular sciences. We …