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Chemical Reviews, ISSN 0009-2665, 03/2013, Volume 113, Issue 3, p. 2100
  The role and relevance of cation-pi interactions in chemistry, materials science, biology and nanosystems were examined. These interactions are important for... 
Enzymes | Toxicology | Molecular structure | Peptides | Materials science | Molecular chemistry
Journal Article
Chemical Reviews, ISSN 0009-2665, 03/2013, Volume 113, Issue 3, pp. 2100 - 2138
The role and relevance of cation-pi interactions in chemistry, materials science, biology and nanosystems were examined. These interactions are important for... 
Materials science | Cations | Nanostructure | Biology
Journal Article
ISSN 1463-9076, 12/2014, Volume 17, Issue 3, pp. 1763 - 1775
Density functional theory (DFT) calculations have been employed on 165 complexes of onium ions (NH 4 + , PH 4 + , OH 3 + , SH 3 + ) and methylated onium ions... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 01/2015, Volume 17, Issue 3, pp. 1763 - 1775
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 02/2011, Volume 115, Issue 4, pp. 703 - 710
Ab initio and density functional theory calculations are performed on half-sandwich (M-Cp) and sandwich (Cp-M-Cp) complexes of alkali and alkaline earth metals... 
B: Statistical Mechanics, Thermodynamics, Medium Effects | CATION-PI INTERACTIONS | CHEMICAL-BOND | ION-BINDING | COMPLEXES | CHEMISTRY | CHEMISTRY, PHYSICAL | COLLISION-INDUCED DISSOCIATION | HYDROGEN-BONDING INTERACTIONS | ENERGIES | B-TL | METALLOCENES | Cyclopentadiene | Alkali metals | Analysis | Ligands | Research | Charge transfer | Electric properties
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2010, Volume 133, Issue 16, pp. 164308 - 164308-12
An exhaustive study on the clusters of benzene ( Bz ) n , n = 2 - 8 , at MP 2 / 6 - 31 + + G ∗ ∗ level of theory is reported. The relative strengths of CH- π... 
EQUILIBRIUM STRUCTURES | PI-STACKING | DIMER | PLESSET PERTURBATION-THEORY | DIRECTIONALITY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NAPHTHALENE | MODEL | ELECTROSTATICS | ENERGIES | MP2
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 01/2015, Volume 17, Issue 3, pp. 1763 - 1775
Density functional theory (DFT) calculations have been employed on 165 complexes of onium ions (NH4(+), PH4(+), OH3(+), SH3(+)) and methylated onium ions with... 
Carbon Dioxide - chemistry | Ions - chemistry | Quantum Theory | Coordination Complexes - chemistry | Onium Compounds - chemistry | Sulfonium Compounds - chemistry
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 01/2014, Volume 114, Issue 2, pp. 145 - 153
The impact due to the of presence of ions, such as Mg2+, Na+, H+, Cl−, and OH− on hydrogen bonded clusters of increasing size (water, formamide, and acetamide... 
hydrogen bonding | ions | cooperativity | clusters | SBE | CATION-PI INTERACTIONS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | INFRARED-SPECTROSCOPY | SOLVATION | EARTH METAL-IONS | WATER CLUSTERS | SALT-SOLUTIONS | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | AQUEOUS NANODROPS | DENSITY-FUNCTIONAL THEORY | HYDRATION ENERGIES | Hydrogen
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 12/2010, Volume 114, Issue 51, pp. 17162 - 17171
Ab initio and DFT computations were carried out on four distinct hydrogen-bonded arrangements of water clusters (H2O) n , n = 2−20, represented as W1D, W2D,... 
B: Biophysical Chemistry | (H2O) CLUSTER | PERTURBATION-THEORY | CATION-PI INTERACTIONS | THERMODYNAMIC PROPERTIES | TUNNELING SPLITTINGS | CENTER-DOT-O | AB-INITIO | PHASE-TRANSITION | CHEMISTRY, PHYSICAL | METAL-IONS | VIBRATIONAL-SPECTRA | Water chemistry | Chemical properties | Ionization | Hydrogen bonding | Analysis
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 09/2011, Volume 13, Issue 33, pp. 15211 - 15220
Journal Article
Structural Chemistry, ISSN 1040-0400, 04/2013, Volume 24, Issue 2, p. 637
Solvation of metal cations has attracted substantial interest on account of its functional importance in biological systems. In the present study, we undertake... 
Databases | Specific gravity | Analysis
Journal Article
Journal of Chemical Sciences, ISSN 0974-3626, 1/2012, Volume 124, Issue 1, pp. 35 - 42
Application of quantum chemical calculations is vital in understanding hydrogen bonding observed in formamide clusters, a prototype model for motifs found in... 
AIM analysis | hydrogen bonding | Chemistry | Cooperativity | N–H stretching frequency | Chemistry/Food Science, general | N-H stretching frequency | Hydrogen bonding
Journal Article
Journal of Chemical Sciences, ISSN 0974-3626, 01/2012, Volume 124, Issue 1, p. 35
Application of quantum chemical calculations is vital in understanding hydrogen bonding observed in formamide clusters, a prototype model for motifs found in... 
Clusters (Chemistry) | Research | Hydrogen bonding
Journal Article
Structural Chemistry, ISSN 1040-0400, 2/2013, Volume 24, Issue 1, pp. 67 - 79
Journal Article
Structural Chemistry, ISSN 1040-0400, 4/2013, Volume 24, Issue 2, pp. 637 - 650
Journal Article
Chemical Reviews, ISSN 0009-2665, 03/2013, Volume 113, Issue 3
Journal Article
2012, ISBN 9400709188
The current review focuses on theoretical approaches for various kinds of noncovalent interactions such as cation-π, π–π stacking, and hydrogen bonding which... 
Theoretical and Computational Chemistry | Chemistry | π–π stacking | Molecular clusters | Theoretical, Mathematical and Computational Physics | Cooperativity | Cation-π | Hydrogen bonding | Noncovalent interactions | Biological relevance of metal ion interactions
Book Chapter
Journal of Biochemistry, Molecular Biology and Biophysics, ISSN 1025-8140, 12/2002, Volume 6, Issue 6, pp. 397 - 400
Journal Article
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