Molecular structure and properties of MgCa molecule

New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community

(2019) Benjamin P. Pritchard et al.   Journal of Chemical Information and Modeling

Biocompatibility of bioabsorbable Mg–Ca alloys with rare earth elements addition

(2019) Daniel Fernandes et al.   JOURNAL OF MATERIALS SCIENCE-MATERIALS IN MEDICINE

Probing Basis Set Requirements for Calculating Core Ionization and Core Excitation Spectroscopy by the Δ Self-Consistent-Field Approach

(2018) Maximilien A. Ambroise et al.   Journal of Chemical Theory and Computation

Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K–Fr) and alkaline earth (Ca–Ra) elements

(2017) J. Grant Hill et al.   JOURNAL OF CHEMICAL PHYSICS

LEVEL: A computer program for solving the radial Schrödinger equation for bound and quasibound levels

(2017) Robert J. Le Roy   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

RKR1: A computer program implementing the first-order RKR method for determining diatomic molecule potential energy functions

(2017) Robert J. Le Roy   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Adhesion evaluation of different bioceramic coatings on Mg–Ca alloys for biomedical applications

(2016) Ana-Iulia Bita et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Coupled-cluster based basis sets for valence correlation calculations

(2016) Daniel Claudino et al.   JOURNAL OF CHEMICAL PHYSICS

The van der Waals potentials of MgCa, MgSr, MgBa, CaSr, CaBa, and SrBa

(2015) L.M. Wei et al.   CHEMICAL PHYSICS LETTERS

Calcium and Magnesium Use for Oxaliplatin-Induced Neuropathy: A Case Study to Assess How Quickly Evidence Translates Into Practice

(2015) Deirdre R. Pachman et al.   Journal of the National Comprehensive Cancer Network

Unifying General and Segmented Contracted Basis Sets. Segmented Polarization Consistent Basis Sets

(2014) Frank Jensen   Journal of Chemical Theory and Computation

Segmented Contracted Basis Sets Optimized for Nuclear Magnetic Shielding

(2014) Frank Jensen   Journal of Chemical Theory and Computation

Contraction of completeness-optimized basis sets: Application to ground-state electron momentum densities

(2013) Susi Lehtola et al.   JOURNAL OF CHEMICAL PHYSICS

Segmented contracted basis sets for atoms H through Xe: Sapporo-(DK)-nZP sets (n = D, T, Q)

(2012) Takeshi Noro et al.   THEORETICAL CHEMISTRY ACCOUNTS

The unique bonding characteristics of beryllium and the Group IIA metals

(2011) Michael C. Heaven et al.   CHEMICAL PHYSICS LETTERS

Phase stability, mechanical property, and electronic structure of an Mg–Ca system

(2011) Peng Zhou et al.   Journal of the Mechanical Behavior of Biomedical Materials

Influence of Different Surface Machining Treatments of Magnesium-based Resorbable Implants on the Degradation Behavior in Rabbits

(2009) Nina Von Der Höh et al.   ADVANCED ENGINEERING MATERIALS

The optimum contraction of basis sets for calculating spin–spin coupling constants

(2009) Frank Jensen   THEORETICAL CHEMISTRY ACCOUNTS

Basis Set Convergence of Nuclear Magnetic Shielding Constants Calculated by Density Functional Methods

(2008) Frank Jensen   Journal of Chemical Theory and Computation

Thermodynamic modelling of the Mg–Ca, Mg–Sr, Ca–Sr and Mg–Ca–Sr systems using the modified quasichemical model

(2007) M. Aljarrah et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY