4.4 Article

Microsolvation of Mg2+, Ca2+: strong influence of formal charges in hydrogen bond networks

Related references

Note: Only part of the references are listed.
Article Biochemistry & Molecular Biology

Structures, energies and bonding in neutral and charged Li microclusters

Diana Yepes et al.

JOURNAL OF MOLECULAR MODELING (2012)

Article Chemistry, Physical

Structural studies of the water pentamer

Frank Ramirez et al.

CHEMICAL PHYSICS LETTERS (2011)

Article Chemistry, Physical

Spanning QTAIM topology phase diagrams of water isomers W-4, W-5 and W-6

Samantha Jenkins et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Understanding microsolvation of Li+: structural and energetical analyses

Jonathan Romero et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Structure and Reactivity of the 1Au6Pt Clusters

Jorge David et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2010)

Article Chemistry, Physical

Structural Studies of the Water Hexamer

Gina Hincapie et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2010)

Article Chemistry, Physical

Hydrogen Bonding in Water Clusters and Their Ionized Counterparts

Y. Indra Neela et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2010)

Article Chemistry, Physical

Insights into the structure and stability of the carbonic acid dimer

Juliana Murillo et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Structural Characterization of the (Methanol)4 Potential Energy Surface

Jorge David et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2009)

Article Chemistry, Physical

Explicit Solvent Effect on Cation-π Interactions: A First Principle Investigation

J. Srinivasa Rao et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Article Chemistry, Physical

The hydrogen bond

A. D. Buckingham et al.

CHEMICAL PHYSICS LETTERS (2008)

Article Physics, Atomic, Molecular & Chemical

Theoretical study of electron capture dissociation of [Mg(H2O)n]2+ clusters

Diane Neff et al.

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY (2008)

Article Chemistry, Physical

Structural studies of the water tetramer

Jhon F. Perez et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2008)

Article Chemistry, Physical

Stochastic search of the quantum conformational space of small lithium and bimetallic lithium-sodium clusters

Jhon F. Perez et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Article Chemistry, Physical

Comprehensive Study on the Solvation of Mono- and Divalent Metal Cations: Li+, Na+, K+ Be2+, Mg2+ and Ca2+

J. Srinivasa Rao et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Article Chemistry, Multidisciplinary

Hydrated Alkali-Metal Cations: Infrared Spectroscopy and ab Initio Calculations of M+(H2O)x=2-5Ar cluster ions for M = Li, Na, K, and Cs

Dorothy J. Miller et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Article Physics, Atomic, Molecular & Chemical

Binding energies for the inner hydration shells of Ca2+:: An experimental and theoretical investigation of Ca2+(H2O)x complexes (x=5-9)

Damon R. Carl et al.

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY (2007)

Review Chemistry, Multidisciplinary

Alternative roles for metal ions in enzyme catalysis and the implications for ribozyme chemistry

Roland K. O. Sigel et al.

CHEMICAL REVIEWS (2007)

Article Chemistry, Physical

Solvation of calcium ion in polar solvents:: An X-ray diffraction and ab initio study

T Megyes et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

Article Chemistry, Physical

Car-Parrinello molecular dynamics simulation of the calcium ion in liquid water

MM Naor et al.

CHEMICAL PHYSICS LETTERS (2003)

Article Chemistry, Physical

Theoretical study of rearrangements in water dimer and trimer

T Taketsugu et al.

MOLECULAR PHYSICS (2002)

Article Biochemistry & Molecular Biology

Structural and catalytic chemistry of magnesium-dependent enzymes

JA Cowan

BIOMETALS (2002)

Article Chemistry, Physical

A first principles molecular dynamics simulation of the hydrated magnesium ion

FC Lightstone et al.

CHEMICAL PHYSICS LETTERS (2001)

Article Chemistry, Multidisciplinary

Hydration of the calcium ion.: An EXAFS, large-angle X-ray scattering, and molecular dynamics simulation study

F Jalilehvand et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)