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(−)‐R‐Mevalonolactone Studied by ROA and SERS Spectroscopy
Wiley | 2014|Keywords: quantum‐chemical calculations -
$ X_{24} $$ Y_{24} $ fullerene-like cages with the group III and V elements X = B, Al, and Ga; Y = N, P, and As: a DFT prediction
Online Contents | 2014|Keywords: Quantum chemical calculations -
$ X_{24} $$ Y_{24} $ fullerene-like cages with the group III and V elements X = B, Al, and Ga; Y = N, P, and As: a DFT prediction
Online Contents | 2014|Keywords: Quantum chemical calculations -
1,1,1‐Trichloro‐3‐(1‐phenethylamino‐ethylidene)‐ pentane‐2,4‐dione—synthesis, spectroscopic, theoretical and structural elucidation
Wiley | 2007|Keywords: quantum chemical calculations -
(1,1-Dichloro-2,2,2-trifluoroethylimino)sulfur dichloride, CF3CCl2NSCl2: Vibrational spectra and quantum chemical calculations
Elsevier | 2009|Keywords: Quantum chemical calculations -
1,2‐Carbagerma‐closo‐dodecaborate as a Germanium Ligand in Coordination Chemistry – Synthesis, Structure and Reactivity
Wiley | 2011|Keywords: Quantum chemical calculations -
1,2-Ditellurolane: A new synthetic method, structure and chemical reactions
Online Contents | 2006|Keywords: quantum chemical-calculations -
1,2-Ditellurolane: A new synthetic method, structure and chemical reactions
Springer Verlag | 2006|Keywords: quantum chemical-calculations -
1,3,6,8‐Tetraphenylpyrene Derivatives: Towards Fluorescent Liquid‐Crystalline Columns?
Wiley | 2004|Keywords: Quantum‐chemical calculations -
1,3-Thiazepines. 6. UV Spectroscopic and Theoretical Study of the Electronic Structures of 2-Aminotetrahydro- and 2-Iminotetrahydro-1,3-thiazepines
Springer Verlag | 2003|Keywords: quantum-chemical calculations -
[1,4]Dithiepino[2,3‐b]furans from Oxiranecarbaldimines and Lithiated 1,3‐Dithiane: A Series of Rearrangement Reactions in One Pot
Wiley | 2012|Keywords: Quantum chemical calculations -
1,10-Phenanthrolinium hydrogensquarate monohydrate—A non-centrosymmetric structure from two non-chiral agents
Elsevier | 2009|Keywords: Quantum chemical calculations -
1,12-Diiodo-Ortho-Carborane: A Classic Textbook Example of the Dihalogen Bond
Free accessDOAJ | 2021|Keywords: quantum chemical calculations -
[1-B10H9N2]− and [1-CB9H10]− anions: an attempt of quantum chemical calculations
Springer Verlag | 2007|Keywords: quantum chemical calculations -
1H–1H scalar coupling across two stacked aromatic rings: DFT calculations and experimental proof
Wiley | 2008|Keywords: quantum chemical calculations -
1H and 13C NMR spectroscopy of structural isomers of pyridinephosphonic acids
Elsevier | 2007|Keywords: Quantum-chemical calculations -
1-(Nitrosoamino)benzimidazoles Containing Electron-acceptor Substituents at the Amine Nitrogen. Theoretical and Experimental Investigation of Conformational Mobility
National licenceSpringer Verlag | 2002|Keywords: quantum-chemical calculations -
1-Vinyl-5-amino-1H-tetrazole: X-ray molecular and crystal structures and quantum-chemical DFT calculations
Elsevier | 2007|Keywords: Quantum-chemical calculations -
2-(1H-diazol-2-ylmethylene)indane-1-ones and 2-(1H-diazol-2-ylmethylene)-1H-indene-1,3(2H)-diones: Photoisomerization and hydrogen-bonding-induced association
Elsevier | 2020|Keywords: Quantum chemical calculations -
2,6-Bis(4,5-diethyl-1H-imidazol-2-yl)pyridine and its complex with divalent iron: the synthesis and study
Springer Verlag | 2023|Keywords: quantum chemical calculations
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