about
The irreducible bundle: Further structure in the kinetic energy distributionModeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential.Aromaticity in transition structures.Aromaticity of metallabenzenes and related compounds.Quantifying aromaticity with electron delocalisation measures.An electronic aromaticity index for large rings.Chemical bonding: the orthogonal valence-bond viewExperimental and computational studies of the molybdenum-flanking arene interaction in quadruply bonded dimolybdenum complexes with terphenyl ligands.Substituent effects on the aromaticity of carbocyclic five-membered rings.Heteroaromaticity approached by charge density investigations and electronic structure calculations.Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths.Accurate integration over atomic regions bounded by zero-flux surfaces.Recent Advances in Metallaaromatic Chemistry.Understanding the molecular switching properties of octaphyrins.How reliable is the hard-soft acid-base principle? An assessment from numerical simulations of electron transfer energies.Functionalized fullerene cations {R-C60}+ from a theoretical point of view.Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory.Molecular structure and vibrational spectra of N-acetylglycine oligomers and polyglycine I using DFT approach.A computational examination on the structure, spin-state energetics and spectroscopic parameters of high-valent Fe(IV)=NTs species.On the Stability of Cis- and Trans-2-Butene Isomers. An Insight Based on the FAMSEC, IQA, and ETS-NOCV Schemes.Stability of functionalized corannulene cations [R-C20 H10 ](+) : An influence of the nature of R-Group.Introducing DDEC6 atomic population analysis: part 3. Comprehensive method to compute bond ordersCharge transfer and chemical potential in 1,3-dipolar cycloadditions
P2860
Q30047439-1223984C-9BD0-45E8-A85D-47E2294B9477Q35202159-FAE5FB3B-CC44-4116-BC98-E13C06F27291Q38196717-30FF8DB2-6C97-4C63-A2A5-1CCEE28BF201Q38360217-17FA30C3-0F73-411E-88BF-A5AE3C88824AQ38413670-932C5E92-EE7D-4963-BE8C-AC655BE94A94Q39996376-1C53E6F7-AF50-40A8-BDBC-1D7D1188E441Q40459026-B0E71367-F66A-48F7-B322-6A1321F5C2E5Q42691081-BDAAD5F6-D812-4859-A497-EB9EB7B9B610Q43179155-16CF07DB-A7B3-4227-B6EA-DDA68A1FC9C2Q44593985-DB294245-E890-49C2-91B5-C63975825803Q45221702-32313623-2317-4344-8EA1-0D5B412EACCCQ45894677-50A0841D-E61B-4690-BEE7-962C53BE11C3Q46250419-ADFD7376-C3B1-43D4-933B-FEC985C3599BQ46588447-DDBB1476-D1C0-4255-B10F-D5DCC59473CDQ46863663-4F564A98-9AD2-4174-AEE9-D4CF7DD6EEFCQ47417780-378CCECA-0CAD-405B-9D7D-EECF356D060CQ50095434-6D8CAA63-EB18-4CDF-A5D2-868B5423F19CQ51124299-74C78035-B1EF-44A8-B3E2-8B76D22D5746Q51601334-7678727E-41D6-4D8F-AFE6-FE8386AB4833Q51774447-9F936A94-1FBE-43D6-8EC3-DECF7D1919FDQ53060261-E8E295E4-1B1D-4265-BF50-265DE17B7B87Q56484677-6B5A69B4-A2A3-4394-AD5F-D40A88B5F0FEQ58191398-808CB40F-A0F4-4F40-9E17-5446E94A9A3D
P2860
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
Unicorns in the world of chemical bonding models.
@ast
Unicorns in the world of chemical bonding models.
@en
type
label
Unicorns in the world of chemical bonding models.
@ast
Unicorns in the world of chemical bonding models.
@en
prefLabel
Unicorns in the world of chemical bonding models.
@ast
Unicorns in the world of chemical bonding models.
@en
P356
P1476
Unicorns in the world of chemical bonding models.
@en
P2093
Andreas Krapp
Gernot Frenking
P2860
P356
10.1002/JCC.20543
P577
2007-01-01T00:00:00Z