Работы, на которые ссылается эта работа

Работ: 67

Работа: Unveiling the Borohydride Ion through Force-Field Development

A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme, Jens Antony, Stephan Ehrlich +1
Статья2010Цитирований: 57
ABI
The missing term in effective pair potentials
Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma
Статья1987Цитирований: 28
ABI
Density-functional exchange-energy approximation with correct asymptotic behavior
Axel D. Becke
Статья1988Цитирований: 25
ABI
Effect of the damping function in dispersion corrected density functional theory
Stefan Grimme, Stephan Ehrlich, Lars Goerigk
Статья2011Цитирований: 25
ABI
Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems
Tom Darden, Darrin M. York, Lee G. Pedersen
Статья1993Цитирований: 16
ABI
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
Florian Weigend, Reinhart Ahlrichs
Статья2005Цитирований: 15
ABI
Comparison of simple potential functions for simulating liquid water
William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura +2
Статья1983Цитирований: 12
ABI
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen
Статья1977Цитирований: 9
ABI
GROMACS: A message-passing parallel molecular dynamics implementation
Herman J. C. Berendsen, David van der Spoel, Rudi van Drunen
Статья1995Цитирований: 8
ABI
Rational design of ion force fields based on thermodynamic solvation properties
Dominik Horinek, Shavkat Mamatkulov, Roland R. Netz
СтатьяSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics2009Цитирований: 7
ABI
Generating Efficient Quantum Chemistry Codes for Novel Architectures
A.V. Titov, Ivan S. Ufimtsev, Nathan Luehr +1
Статья2012Цитирований: 6
ABI
van der Waals Volumes and Radii
A. Bondì
Статья1964Цитирований: 6
ABI
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
Christopher I. Bayly, Piotr Cieplak, Wendy D. Cornell +1
Статья1993Цитирований: 6
ABI
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
S. H. Vosko, L. Wilk, Marwan Nusair
Статья1980Цитирований: 5
ABI
Effect of Ions on the Structure of Water: Structure Making and Breaking
Yizhak Marcus
Обзорная статья2009Цитирований: 5
ABI
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6
Chris Oostenbrink, Alessandra Villa, Alan E. Mark +1
Статья2004Цитирований: 5
ABI
Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
Curt M. Breneman, Kenneth B. Wiberg
Статья1990Цитирований: 5
ABI
Optimization of classical nonpolarizable force fields for OH− and H3O+
Douwe Jan Bonthuis, Shavkat Mamatkulov, Roland R. Netz
СтатьяSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics2016Цитирований: 4
ABI
The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster-Ion Solvation Data
Michael Tissandier, Kenneth A. Cowen, Wan Yong Feng +5
Статья1998Цитирований: 4
ABI
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
Éric Cancès, Benedetta Mennucci, J. Tomasi
Статья1997Цитирований: 4
ABI
Note on an Approximation Treatment for Many-Electron Systems
CHR. KN. MØLLER, M. S. Plesset
Статья1934Цитирований: 4
ABI
A Kirkwood–Buff derived force field for sodium chloride in water
Samantha Weerasinghe, Paul E. Smith
Статья2003Цитирований: 3
ABI
Force fields for divalent cations based on single-ion and ion-pair properties
Shavkat Mamatkulov, Maria Fyta, Roland R. Netz
Статья2013Цитирований: 3
ABI
Molecular dynamics simulations of aqueous ionic clusters using polarizable water
Liem X. Dang, David Eugene Smith
Статья1993Цитирований: 3
ABI
Kirkwood–Buff Integrals for Finite Volumes
Péter Krüger, Sondre K. Schnell, Dick Bedeaux +3
Статья2012Цитирований: 3
ABI

Работы, на которые ссылается эта работа

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

The missing term in effective pair potentials

Density-functional exchange-energy approximation with correct asymptotic behavior

Effect of the damping function in dispersion corrected density functional theory

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Comparison of simple potential functions for simulating liquid water

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

GROMACS: A message-passing parallel molecular dynamics implementation

Rational design of ion force fields based on thermodynamic solvation properties

Generating Efficient Quantum Chemistry Codes for Novel Architectures

van der Waals Volumes and Radii

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

Effect of Ions on the Structure of Water: Structure Making and Breaking

A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Optimization of classical nonpolarizable force fields for OH− and H3O+

The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster-Ion Solvation Data

A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

Note on an Approximation Treatment for Many-Electron Systems

A Kirkwood–Buff derived force field for sodium chloride in water

Force fields for divalent cations based on single-ion and ion-pair properties

Molecular dynamics simulations of aqueous ionic clusters using polarizable water

Kirkwood–Buff Integrals for Finite Volumes