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1
Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers
Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers
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Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers

Cox, Stephen J ; Kathmann, Shawn M ; Slater, Ben ; Michaelides, Angelos

The Journal of chemical physics, 2015-05, Vol.142 (18), p.184705-184705 [Periódico revisado por pares]

United States: American Institute of Physics

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2
Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity
Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity
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Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity

Cox, Stephen J ; Kathmann, Shawn M ; Slater, Ben ; Michaelides, Angelos

The Journal of chemical physics, 2015-05, Vol.142 (18), p.184704-184704 [Periódico revisado por pares]

United States: American Institute of Physics

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3
On the validity of the basis set superposition error and complete basis set limit extrapolations for the binding energy of the formic acid dimer
On the validity of the basis set superposition error and complete basis set limit extrapolations for the binding energy of the formic acid dimer
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On the validity of the basis set superposition error and complete basis set limit extrapolations for the binding energy of the formic acid dimer

Miliordos, Evangelos ; Xantheas, Sotiris S

The Journal of chemical physics, 2015-03, Vol.142 (9), p.094311-094311 [Periódico revisado por pares]

United States: American Institute of Physics

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4
Nuclear quantum effects in water exchange around lithium and fluoride ions
Nuclear quantum effects in water exchange around lithium and fluoride ions
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Nuclear quantum effects in water exchange around lithium and fluoride ions

Wilkins, David M ; Manolopoulos, David E ; Dang, Liem X

The Journal of chemical physics, 2015-02, Vol.142 (6), p.064509-064509 [Periódico revisado por pares]

United States: American Institute of Physics

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5
Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics
Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics
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Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics

Lei, Huan ; Mundy, Christopher J ; Schenter, Gregory K ; Voulgarakis, Nikolaos K

The Journal of chemical physics, 2015-05, Vol.142 (19), p.194504-194504 [Periódico revisado por pares]

United States: American Institute of Physics

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6
Probing the early stages of salt nucleation--experimental and theoretical investigations of sodium/potassium thiocyanate cluster anions
Probing the early stages of salt nucleation--experimental and theoretical investigations of sodium/potassium thiocyanate cluster anions
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Probing the early stages of salt nucleation--experimental and theoretical investigations of sodium/potassium thiocyanate cluster anions

Deng, S H M ; Kong, Xiang-Yu ; Wang, Xue-Bin

The Journal of chemical physics, 2015-01, Vol.142 (2), p.024313-024313 [Periódico revisado por pares]

United States: American Institute of Physics

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7
Multiscale model of metal alloy oxidation at grain boundaries
Multiscale model of metal alloy oxidation at grain boundaries
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Multiscale model of metal alloy oxidation at grain boundaries

Sushko, Maria L ; Alexandrov, Vitaly ; Schreiber, Daniel K ; Rosso, Kevin M ; Bruemmer, Stephen M

The Journal of chemical physics, 2015-06, Vol.142 (21), p.214114-214114 [Periódico revisado por pares]

United States: American Institute of Physics

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8
Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory
Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory
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Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory

Banik, Subrata ; Ravichandran, Lalitha ; Brabec, Jiří ; Hubač, Ivan ; Kowalski, Karol ; Pittner, Jiří

The Journal of chemical physics, 2015-03, Vol.142 (11), p.114106-114106 [Periódico revisado por pares]

United States: American Institute of Physics

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9
Modeling selective intergranular oxidation of binary alloys
Modeling selective intergranular oxidation of binary alloys
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Modeling selective intergranular oxidation of binary alloys

Xu, Zhijie ; Li, Dongsheng ; Schreiber, Daniel K ; Rosso, Kevin M ; Bruemmer, Stephen M

The Journal of chemical physics, 2015-01, Vol.142 (1), p.014704-014704 [Periódico revisado por pares]

United States: American Institute of Physics

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