4.7 Article

Relating polarizability to volume, ionization energy, electronegativity, hardness, moments of momentum, and other molecular properties

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Molecular size from moments of the momentum density

Shamus A. Blair et al.

CHEMICAL PHYSICS LETTERS (2014)

Article Chemistry, Physical

Additive models for the molecular polarizability and volume

Shamus A. Blair et al.

CHEMICAL PHYSICS LETTERS (2014)

Article Chemistry, Physical

TABS: A database of molecular structures

Shamus A. Blair et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2014)

Article Chemistry, Physical

New Relationships Connecting the Dipole Polarizability, Radius, and Second Ionization Potential for Atoms

Uwe Hohm et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2012)

Proceedings Paper Computer Science, Interdisciplinary Applications

A Hierarchy for Additive Models of Polarizability

Ajit J. Thakkar

INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009) (2012)

Article Chemistry, Physical

Should negative electron affinities be used for evaluating the chemical hardness?

Carlos Cardenas et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Simple models for electron correlation energies in atoms

Shane P. McCarthy et al.

CHEMICAL PHYSICS LETTERS (2010)

Article Chemistry, Physical

A simple additive model for polarizabilities: Application to amino acids

Noureddin El-Bakali Kassimi et al.

CHEMICAL PHYSICS LETTERS (2009)

Article Chemistry, Physical

Comparison of DFT methods for molecular orbital eigenvalue calculations

Gang Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

Article Chemistry, Physical

The physical basis of the hard/soft acid/base principle

Paul W. Ayers

FARADAY DISCUSSIONS (2007)

Article Chemistry, Physical

Computation of the hardness and the problem of negative electron affinities in density functional theory

DJ Tozer et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

Article Chemistry, Physical

Are Hartree-Fock atoms too small or too large?

AJ Cohen et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)

Review Chemistry, Multidisciplinary

Conceptual density functional theory

P Geerlings et al.

CHEMICAL REVIEWS (2003)

Article Chemistry, Physical

Atomic polarizability, volume and ionization energy

P Politzer et al.

JOURNAL OF CHEMICAL PHYSICS (2002)