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Ab initio calculation of structure and transport properties of He…X (X = Zn, Cd, Hg) van der Waals complexes
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1096-987x(200005)21:7<531::aid-jcc3>3.0.co;2-copenalex-snapshot
Exploring the similarities between potential smoothing and simulated annealing
inferredcites →https://doi.org/10.1002/jcc.21629openalex-snapshot
Relativistic effects in HgHe and HgXe CCSD(T) ground state potential curves. Low‐density viscosity simulations of Hg:Xe mixture
inferredcites →https://doi.org/10.1002/jcc.21681openalex-snapshot
Multipole electrostatics in hydration free energy calculations
inferredcites →https://doi.org/10.1002/qua.21744openalex-snapshot
On the diffusion coefficients and stability of van der Waals complex Hg… N2
inferredcites →https://doi.org/10.1007/s00214-005-0681-9openalex-snapshot
Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
inferredcites →https://doi.org/10.1007/s100530170251openalex-snapshot
Theoretical study of the A30+ ← X10+ and B31 ← X10+ transitions in the Cd-rare gas van der Waals molecules
inferredcites →https://doi.org/10.1016/0003-4916(75)90233-xopenalex-snapshot
Gaseous lon mobility in electric fields of arbitrary strength
inferredcites →https://doi.org/10.1016/0009-2614(85)80424-3openalex-snapshot
Mercury-rare gas van der Waals complexes: From the lightest HgHe to the heaviest HgXe
inferredcites →https://doi.org/10.1016/0009-2614(94)00625-3openalex-snapshot
Adiabatic potential curves for the Cd2 dimer
inferredcites →https://doi.org/10.1016/0301-0104(93)e0337-uopenalex-snapshot
Velocity distribution functions and transport coefficients of atomic ions in atomic gases by a Gram—Charlier approach
inferredcites →https://doi.org/10.1016/j.chemphys.2004.09.038openalex-snapshot
An ab initio study of the electronic spectrum of Zn2 including spin–orbit coupling
inferredcites →https://doi.org/10.1016/j.chemphys.2004.10.005openalex-snapshot
Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac–Hartree–Fock data
inferredcites →https://doi.org/10.1016/j.cpc.2010.06.008openalex-snapshot
Transport cross sections for collisions between particles
inferredcites →https://doi.org/10.1016/j.cplett.2007.10.104openalex-snapshot
Accurate potential energy curves for Zn+–Rg (Rg = He–Rn): Spectroscopy and transport coefficients
inferredcites →https://doi.org/10.1016/j.fluid.2007.06.004openalex-snapshot
Boyle temperatures for pure substances
inferredcites →https://doi.org/10.1016/j.physa.2006.12.001openalex-snapshot
Chapman–Enskog solutions to arbitrary order in Sonine polynomials I: Simple, rigid-sphere gas
inferredcites →https://doi.org/10.1016/s0009-2614(00)01056-3openalex-snapshot
CCSD(T) calculation of the ground-state potential curves for the Cd-rare gas van der Waals molecules
inferredcites →https://doi.org/10.1016/s0009-2614(01)00066-5openalex-snapshot
CCSD(T) calculation of the ground-state potential curves for the Zn-rare gas van der Waals molecules
inferredcites →https://doi.org/10.1016/s0009-2614(97)00609-xopenalex-snapshot
Covalent contributions to bonding in group 12 dimers M2 (Mn = Zn, Cd, Hg)
inferredcites →https://doi.org/10.1016/s0301-0104(00)00344-xopenalex-snapshot
Quasirelativistic valence ab initio calculation of the potential energy curves for the Hg–rare gas atom complexes
inferredcites →https://doi.org/10.1021/cr00031a001openalex-snapshot
Origins of Structure and Energetics of van der Waals Clusters from ab Initio Calculations
inferredcites →https://doi.org/10.1021/cr00031a007openalex-snapshot
State of the Art in Counterpoise Theory
inferredcites →https://doi.org/10.1021/ed032p232.2openalex-snapshot
Molecular theory of gases and liquids
inferredcites →https://doi.org/10.1021/jp027815+openalex-snapshot
Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation
inferredcites →https://doi.org/10.1021/jp0309769openalex-snapshot
Matrix Reactivity of Zn, Cd, or Hg Atoms (M) in the Presence of Silane: Photogeneration and Characterization of the Insertion Product HMSiH 3 in a Solid Argon Matrix
inferredcites →https://doi.org/10.1063/1.1740026openalex-snapshot
Transport Properties of Gases Obeying a Modified Buckingham (Exp-Six) Potential
inferredcites →https://doi.org/10.1063/1.1740200openalex-snapshot
The Intermolecular Potentials for Some Simple Nonpolar Molecules
inferredcites →https://doi.org/10.1063/1.1743721openalex-snapshot
Higher Approximations for the Transport Properties of Binary Gas Mixtures. I. General Formulas
inferredcites →https://doi.org/10.1063/1.2148955openalex-snapshot
Interaction potentials and spectroscopy of Hg+∙Rg and Cd+∙Rg and transport coefficients for Hg+ and Cd+ in Rg (RgHeRn)
inferredcites →https://doi.org/10.1063/1.3013140openalex-snapshot
The CCSD(T) complete basis set limit for Ne revisited
inferredcites →https://doi.org/10.1063/1.3061949openalex-snapshot
Molecular Theory of Gases and Liquids
inferredcites →https://doi.org/10.1063/1.3126779openalex-snapshot
A combining rule calculation of the ground state van der Waals potentials of the mercury rare-gas complexes
inferredcites →https://doi.org/10.1063/1.453777openalex-snapshot
Direct spectroscopic determination of the Hg2 bond length and an analysis of the 2540 Å band
inferredcites →https://doi.org/10.1063/1.459436openalex-snapshot
Interaction universality and scaling laws for interaction potentials between closed-shell atoms and ions
inferredcites →https://doi.org/10.1063/1.463852openalex-snapshot
Mo/ller–Plesset perturbation investigation of the He2 potential and the role of midbond basis functions
inferredcites →https://doi.org/10.1063/1.466478openalex-snapshot
Benchmark calculations with correlated molecular wave functions. V. The determination of accurate ab initio intermolecular potentials for He2, Ne2, and Ar2
inferredcites →https://doi.org/10.1063/1.471605openalex-snapshot
On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy
inferredcites →https://doi.org/10.1080/00268970010010196openalex-snapshot
Theoretical study of the A30+← X10+and B31 ← X10+transitions in Hg—rare gas van der Waals molecules
inferredcites →https://doi.org/10.1080/00268977000101561openalex-snapshot
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
inferredcites →https://doi.org/10.1080/00268979909482990openalex-snapshot
Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He2, Ne2 and Ar2 using correlation consistent basis sets through augmented sextuple zeta
inferredcites →https://doi.org/10.1103/physreva.40.4338openalex-snapshot
Ou+ (3 Πu )← XOg+ ( Σg+ ) transitions in Cd2 excited in crossed molecular and laser beams
inferredcites →https://doi.org/10.1103/physreva.41.277openalex-snapshot
Ou+ (3 Πu )← XOg+ (1 Σg+ ) transitions in Zn2 excited in crossed molecular and laser beams
inferredcites →https://doi.org/10.1135/cccc20070363openalex-snapshot
On the Viscosity and Physical Origin of Stability of Weakly Bound Complexes CdZn, HgZn and HgCd
inferredcites →https://doi.org/10.1135/cccc20081357openalex-snapshot
Theoretical Study of the vdW Complex Cd···N2
inferredcites →https://doi.org/10.1139/v69-357openalex-snapshot
Diffusivity measurements of the argon–mercury vapor system
inferredcites →https://doi.org/10.1201/9781315380476openalex-snapshot
CRC Handbook of Chemistry and Physics
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4868374openalex-extracted
Weakly Bound Mercury-Noble Gas Adducts: Strength, Range and Nature of the Interaction, Spectroscopic and Thermodynamical Properties
inferred← citeshttps://doi.org/10.1007/978-3-642-41272-1_14openalex-snapshot
Alkyl mercury compounds: an assessment of DFT methods
inferred← citeshttps://doi.org/10.1007/s00214-012-1328-2openalex-snapshot
Alkyl mercury compounds: an assessment of DFT methods
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114797openalex-snapshot
Weakly bound mercury-noble gas adducts: Strength, range and nature of the interaction, spectroscopic and thermodynamical properties
inferred← citeshttps://doi.org/10.1021/acs.jpcb.7b03714openalex-snapshot
First-Principles Interaction Analysis Assessment of the Manganese Cation in the Catalytic Activity of Glycosyltransferases
inferred← citeshttps://doi.org/10.1039/c4cp02241fopenalex-snapshot
Ab initio X 1 0 + ground state potential curves of Pb⋯RG dimers (RG = He, Ne, Ar) including spin–orbit effects. Simulation of diffusion coefficients
inferred← citeshttps://doi.org/10.1080/00268976.2014.994569openalex-snapshot
Collision-induced light scattering spectra of mercury vapour at different temperatures
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