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Refinado por: Nome da Publicação: The Journal Of Chemical Physics remover idioma: Japonês remover
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Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies
Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies
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Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies

Parker, Trent M ; Burns, Lori A ; Parrish, Robert M ; Ryno, Alden G ; Sherrill, C David

The Journal of chemical physics, 2014-03, Vol.140 (9), p.094106-094106 [Periódico revisado por pares]

United States: American Institute of Physics

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2
Communication: Contrasting effects of glycerol and DMSO on lipid membrane surface hydration dynamics and forces
Communication: Contrasting effects of glycerol and DMSO on lipid membrane surface hydration dynamics and forces
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Communication: Contrasting effects of glycerol and DMSO on lipid membrane surface hydration dynamics and forces

Schrader, Alex M. ; Cheng, Chi-Yuan ; Israelachvili, Jacob N. ; Han, Songi

The Journal of chemical physics, 2016-07, Vol.145 (4), p.041101-041101 [Periódico revisado por pares]

United States: American Institute of Physics

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3
Overhauser effects in insulating solids
Overhauser effects in insulating solids
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Overhauser effects in insulating solids

Can, T V ; Caporini, M A ; Mentink-Vigier, F ; Corzilius, B ; Walish, J J ; Rosay, M ; Maas, W E ; Baldus, M ; Vega, S ; Swager, T M ; Griffin, R G

The Journal of chemical physics, 2014-08, Vol.141 (6), p.064202-064202 [Periódico revisado por pares]

United States: American Institute of Physics

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4
Force fields for divalent cations based on single-ion and ion-pair properties
Force fields for divalent cations based on single-ion and ion-pair properties
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Force fields for divalent cations based on single-ion and ion-pair properties

Mamatkulov, Shavkat ; Fyta, Maria ; Netz, Roland R

The Journal of chemical physics, 2013-01, Vol.138 (2), p.024505-024505 [Periódico revisado por pares]

United States

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5
Coupled-cluster techniques for computational chemistry: The CFOUR program package
Coupled-cluster techniques for computational chemistry: The CFOUR program package
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Coupled-cluster techniques for computational chemistry: The CFOUR program package

Matthews, Devin A. ; Cheng, Lan ; Harding, Michael E. ; Lipparini, Filippo ; Stopkowicz, Stella ; Jagau, Thomas-C. ; Szalay, Péter G. ; Gauss, Jürgen ; Stanton, John F.

The Journal of chemical physics, 2020-06, Vol.152 (21), p.214108-214108 [Periódico revisado por pares]

Melville: American Institute of Physics

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6
Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules
Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules
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Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules

Fyta, Maria ; Netz, Roland R.

The Journal of chemical physics, 2012-03, Vol.136 (12), p.124103-124103-11 [Periódico revisado por pares]

United States: American Institute of Physics

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7
Effects of salt or cosolvent addition on solubility of a hydrophobic solute in water: Relevance to those on thermal stability of a protein
Effects of salt or cosolvent addition on solubility of a hydrophobic solute in water: Relevance to those on thermal stability of a protein
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Effects of salt or cosolvent addition on solubility of a hydrophobic solute in water: Relevance to those on thermal stability of a protein

Murakami, Shota ; Hayashi, Tomohiko ; Kinoshita, Masahiro

The Journal of chemical physics, 2017-02, Vol.146 (5), p.055102-055102 [Periódico revisado por pares]

United States: American Institute of Physics

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8
Structure-thermodynamics relation of electrolyte solutions
Structure-thermodynamics relation of electrolyte solutions
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Structure-thermodynamics relation of electrolyte solutions

Kalcher, Immanuel ; Dzubiella, Joachim

The Journal of chemical physics, 2009-04, Vol.130 (13), p.134507-134507-12 [Periódico revisado por pares]

United States: American Institute of Physics

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9
Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril
Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril
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Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril

Nguyen, Crystal N ; Young, Tom Kurtzman ; Gilson, Michael K

The Journal of chemical physics, 2012-07, Vol.137 (4), p.044101-044101 [Periódico revisado por pares]

United States: American Institute of Physics

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10
The DIRAC code for relativistic molecular calculations
The DIRAC code for relativistic molecular calculations
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The DIRAC code for relativistic molecular calculations

Saue, Trond ; Bast, Radovan ; Gomes, André Severo Pereira ; Jensen, Hans Jørgen Aa ; Visscher, Lucas ; Aucar, Ignacio Agustín ; Di Remigio, Roberto ; Dyall, Kenneth G. ; Eliav, Ephraim ; Fasshauer, Elke ; Fleig, Timo ; Halbert, Loïc ; Hedegård, Erik Donovan ; Helmich-Paris, Benjamin ; Iliaš, Miroslav ; Jacob, Christoph R. ; Knecht, Stefan ; Laerdahl, Jon K. ; Vidal, Marta L. ; Nayak, Malaya K. ; Olejniczak, Małgorzata ; Olsen, Jógvan Magnus Haugaard ; Pernpointner, Markus ; Senjean, Bruno ; Shee, Avijit ; Sunaga, Ayaki ; van Stralen, Joost N. P.

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204104-204104 [Periódico revisado por pares]

Melville: American Institute of Physics

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