Работы, на которые ссылается эта работа

Работ: 93

Работа: Crown ether complexes of actinyls: a computational assessment of AnO2(15-crown-5)2+(An = U, Np, Pu, Am, Cm)

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee, Weitao Yang, Robert G. Parr
Статья1988Цитирований: 84
ABI
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke
Статья1993Цитирований: 74
ABI
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham
Статья1965Цитирований: 44
ABI
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
R. D. Shannon
Статья1976Цитирований: 30
ABI
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
R. Krishnan, J. Stephen Binkley, Rolf Seeger +1
Статья1980Цитирований: 29
ABI
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
Alan E. Reed, Larry A. Curtiss, Frank Weinhold
Обзорная статья1988Цитирований: 8
ABI
Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18
A. D. McLean, G. S. Chandler
Статья1980Цитирований: 7
ABI
Natural population analysis
Alan E. Reed, Robert B. Weinstock, Frank Weinhold
Статья1985Цитирований: 7
ABI
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
Rick A. Kendall, Thom H. Dunning, Robert J. Harrison
Статья1992Цитирований: 5
ABI
Без названия
ДругоеЦитирований: 4
ABI
COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
Andreas Klamt, Gerrit Schüürmann
Статья1993Цитирований: 4
ABI
Investigation of Aquo and Chloro Complexes of UO22+, NpO2+, Np4+, and Pu3+ by X-ray Absorption Fine Structure Spectroscopy
P. G. Allen, J. J. Bucher, David K. Shuh +2
Статья1997Цитирований: 3
ABI
Uranium(VI) bio-coordination chemistry from biochemical, solution and protein structural data
J VANHORN, Hsu‐Shan Huang
Статья2005Цитирований: 3
ABI
Covalency in f-element complexes
Michael L. Neidig, David L. Clark, Richard L. Martin
Статья2012Цитирований: 3
ABI
The Chemistry of the Actinide and Transactinide Elements
Lester R. Morss, Edelstein, Norman M., J. Fuger +1
Книга2006Цитирований: 3
ABI
Rationale for mixing exact exchange with density functional approximations
John P. Perdew, Matthias Ernzerhof, Kieron Burke
Статья1996Цитирований: 3
ABI
Valence basis sets for relativistic energy-consistent small-core lanthanide pseudopotentials
Xiaoyan Cao, Michael Dolg
Статья2001Цитирований: 3
ABI
Vibrational Spectroscopy of Mass-Selected [UO2(ligand)n]2+Complexes in the Gas Phase: Comparison with Theory
Gary S. Groenewold, Anita K. Gianotto, Kevin C. Cossel +6
Статья2006Цитирований: 3
ABI
Segmented contraction scheme for small-core actinide pseudopotential basis sets
Xiaoyan Cao, Michael Dolg
Статья2004Цитирований: 2
ABI
Incorporating Size Selectivity into Synergistic Solvent Extraction: A Review of Crown Ether-Containing Systems
Andrew H. Bond, Mark L. Dietz, R. Chiarizia
Обзорная статья2000Цитирований: 2
ABI
Charge, bond order and valence in the AB initio SCF theory
I. Mayer
Статья1983Цитирований: 2
ABI
Experimental and Theoretical Studies on the Fragmentation of Gas-Phase Uranyl–, Neptunyl–, and Plutonyl–Diglycolamide Complexes
Yu Gong, Han‐Shi Hu, Linfeng Rao +2
Статья2013Цитирований: 2
ABI
Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO2X3– (X = F, Cl, Br, I): Competition between Coulomb Repulsion and U–X Bonding
Jing Su, Phuong D. Dau, Yiheng Qiu +5
Статья2013Цитирований: 2
ABI
Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning
Nikolas Kaltsoyannis
Статья2012Цитирований: 2
ABI
A simple measure of electron localization in atomic and molecular systems
Axel D. Becke, Kenneth E. Edgecombe
Статья1990Цитирований: 2
ABI

Работы, на которые ссылается эта работа

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional thermochemistry. III. The role of exact exchange

Self-Consistent Equations Including Exchange and Correlation Effects

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, <i>Z</i>=11–18

Natural population analysis

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

Без названия

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

Investigation of Aquo and Chloro Complexes of UO<sub>2</sub><sup>2+</sup>, NpO<sub>2</sub><sup>+</sup>, Np<sup>4+</sup>, and Pu<sup>3+</sup> by X-ray Absorption Fine Structure Spectroscopy

Uranium(VI) bio-coordination chemistry from biochemical, solution and protein structural data

Covalency in f-element complexes

The Chemistry of the Actinide and Transactinide Elements

Rationale for mixing exact exchange with density functional approximations

Valence basis sets for relativistic energy-consistent small-core lanthanide pseudopotentials

Vibrational Spectroscopy of Mass-Selected [UO<sub>2</sub>(ligand)<i><sub>n</sub></i>]<sup>2+</sup>Complexes in the Gas Phase: Comparison with Theory

Segmented contraction scheme for small-core actinide pseudopotential basis sets

Incorporating Size Selectivity into Synergistic Solvent Extraction: A Review of Crown Ether-Containing Systems

Charge, bond order and valence in the AB initio SCF theory

Experimental and Theoretical Studies on the Fragmentation of Gas-Phase Uranyl–, Neptunyl–, and Plutonyl–Diglycolamide Complexes

Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO<sub>2</sub>X<sub>3</sub><sup>–</sup> (X = F, Cl, Br, I): Competition between Coulomb Repulsion and U–X Bonding

Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning

A simple measure of electron localization in atomic and molecular systems