Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions.
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Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate.Metal-mediated reactions between dialkylcyanamides and acetamidoxime generate unusual (nitrosoguanidinate)nickel(ii) complexes.Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction.Validation of X-ray Wavefunction Refinement.Halogen Contacts-Induced Unusual Coloring in BiIII Bromide Complex: Anion-to-Cation Charge Transfer via Br⋅⋅⋅Br Interactions.Electron density, electrostatic potential, and spatial organization of ammonium hydrooxalate oxalic acid dihydrate heteromolecular crystal from data of diffraction experiment at 15 K using synchrotron radiation and theoretical calculationsPhosphorescent Modulation of Metallophilic Clusters and Recognition of Solvents through a Flexible Host-Guest Assembly: A Theoretical Investigation
P2860
Q35745471-29820136-3DFC-48C7-A974-F29529FDFEA7Q38668375-B0184492-2059-4BC3-9346-DDD44A59B394Q40886355-1A4A92DC-B02F-4F89-A0DB-8CD448C98A3DQ47424743-661C33A0-420C-40A2-B9CD-AF0928F417F9Q48305991-A46188B5-C6CC-4013-A01E-53A4A66CD9A2Q58014689-A7E85639-A4FC-4117-8EFF-CDDB145E4EF3Q58769914-1EE93231-C0B1-4217-B4A6-ECB27CDA64E8
P2860
Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions.
description
2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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name
Intermolecular hydrogen bond e ...... periodic boundary conditions.
@en
Intermolecular hydrogen bond e ...... periodic boundary conditions.
@nl
type
label
Intermolecular hydrogen bond e ...... periodic boundary conditions.
@en
Intermolecular hydrogen bond e ...... periodic boundary conditions.
@nl
prefLabel
Intermolecular hydrogen bond e ...... periodic boundary conditions.
@en
Intermolecular hydrogen bond e ...... periodic boundary conditions.
@nl
P2093
P2860
P356
P1476
Intermolecular hydrogen bond e ...... h periodic boundary conditions
@en
P2093
A N Egorova
A V Churakov
P2860
P304
P356
10.1002/JCC.23062
P577
2012-07-12T00:00:00Z