Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions.
about
The MP2-F12 method in the TURBOMOLE program packageAccurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution.Experimental observation of structures with subtle balance between strong hydrogen bond and weak n → π(*) interaction: Gas phase laser spectroscopy of 7-azaindole⋯fluorosubstituted pyridines.Interplay among Electrostatic, Dispersion, and Steric Interactions: Spectroscopy and Quantum Chemical Calculations of π-Hydrogen Bonded Complexes.A reinvestigation of the dimer of para-benzoquinone and pyrimidine with MP2, CCSD(T), and DFT using functionals including those designed to describe dispersion.Ring opening of 2-aza-3-borabicyclo[2.2.0]hex-5-ene, the Dewar form of 1,2-dihydro-1,2-azaborine: stepwise versus concerted mechanisms.Ab initio investigation of benzene clusters: molecular tailoring approach.Molecular aniline clusters. II. The low-lying electronic excited states.The role of the methyl group in stabilising the weak N-H...pi hydrogen bond in the 4-fluorotoluene-ammonia complex.Observation of exclusively π-stacked heterodimer of indole and hexafluorobenzene in the gas phase.Halogen Bonds in Novel Polyhalogen Monoanions.Soft hydrogen bonds to alkenes: the methanol-ethene prototype under experimental and theoretical scrutiny.Role of size and shape selectivity in interaction between gold nanoclusters and imidazole: a theoretical study.Control over the Hydrogen-Bond Docking Site in Anisole by Ring Methylation.Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature?Tandem deprotection-dimerization-macrocyclization route to C(2) symmetric cyclo-tetrapeptides.Accurate dissociation energies of two isomers of the 1-naphthol⋅cyclopropane complex.Dispersion-corrected Møller-Plesset second-order perturbation theory.Direct Spectroscopic Evidence for an n→π* Interaction.Periodic local Møller–Plesset second order perturbation theory method applied to molecular crystals: Study of solid NH3 and CO2 using extended basis sets
P2860
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P2860
Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions.
description
2008 nî lūn-bûn
@nan
2008 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
Scope and limitations of the S ...... hydrogen bonding interactions.
@ast
Scope and limitations of the S ...... hydrogen bonding interactions.
@en
type
label
Scope and limitations of the S ...... hydrogen bonding interactions.
@ast
Scope and limitations of the S ...... hydrogen bonding interactions.
@en
prefLabel
Scope and limitations of the S ...... hydrogen bonding interactions.
@ast
Scope and limitations of the S ...... hydrogen bonding interactions.
@en
P2093
P356
P1476
Scope and limitations of the S ...... hydrogen bonding interactions.
@en
P2093
Florian A Bischoff
Jann A Frey
Philipp Ottiger
Roman Leist
Samuel Leutwyler
Sebastian Höfener
Wim Klopper
P304
P356
10.1039/B718494H
P407
P577
2008-02-18T00:00:00Z