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Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium

Mateus Bergami Andre L. D Santana; Jorge Charry; Andres Reyes; Kaline Rabelo Coutinho; Márcio Teixeira do Nascimento Varella

Journal of Physical Chemistry B Washington: ACS-American Chemical Society, 2022 v. 126, n. 14, p. 2699-2714, 4 de abril de 2022, online

Washington 2022

Item não circula. Consulte sua biblioteca.(Acessar)

2
The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask
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The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask

Comer, Jeffrey ; Gumbart, James C ; Hénin, Jérôme ; Lelièvre, Tony ; Pohorille, Andrew ; Chipot, Christophe

The journal of physical chemistry. B, 2015-01, Vol.119 (3), p.1129-1151 [Periódico revisado por pares]

United States: American Chemical Society

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3
Internal Coordinate Molecular Dynamics: A Foundation for Multiscale Dynamics
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Internal Coordinate Molecular Dynamics: A Foundation for Multiscale Dynamics

Vaidehi, Nagarajan ; Jain, Abhinandan

The journal of physical chemistry. B, 2015-01, Vol.119 (4), p.1233-1242 [Periódico revisado por pares]

United States: American Chemical Society

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4
Role of Solvation Dynamics and Local Ordering of Water in Inducing Conformational Transitions in Poly(N-isopropylacrylamide) Oligomers through the LCST
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Role of Solvation Dynamics and Local Ordering of Water in Inducing Conformational Transitions in Poly(N-isopropylacrylamide) Oligomers through the LCST

Deshmukh, Sanket A ; Sankaranarayanan, Subramanian K. R. S ; Suthar, Kamlesh ; Mancini, Derrick C

Journal of Physical Chemistry B, 2012-03, Vol.116 (9), p.2651-2663 [Periódico revisado por pares]

United States: American Chemical Society

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5
Physical Aging, the Local Dynamics of Glass-Forming Polymers under Nanoscale Confinement
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Physical Aging, the Local Dynamics of Glass-Forming Polymers under Nanoscale Confinement

Shavit, Amit ; Riggleman, Robert A

The journal of physical chemistry. B, 2014-07, Vol.118 (30), p.9096-9103 [Periódico revisado por pares]

United States: American Chemical Society

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6
Toward Designed Singlet Fission: Solution Photophysics of Two Indirectly Coupled Covalent Dimers of 1,3-Diphenylisobenzofuran
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Toward Designed Singlet Fission: Solution Photophysics of Two Indirectly Coupled Covalent Dimers of 1,3-Diphenylisobenzofuran

Johnson, Justin C ; Akdag, Akin ; Zamadar, Matibur ; Chen, Xudong ; Schwerin, Andrew F ; Paci, Irina ; Smith, Millicent B ; Havlas, Zdeněk ; Miller, John R ; Ratner, Mark A ; Nozik, Arthur J ; Michl, Josef

Journal of Physical Chemistry B, 2013-04, Vol.117 (16), p.4680-4695 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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7
Modification of the Generalized Born Model Suitable for Macromolecules
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Modification of the Generalized Born Model Suitable for Macromolecules

Onufriev, Alexey ; Bashford, Donald ; Case, David A

The journal of physical chemistry. B, 2000-04, Vol.104 (15), p.3712-3720 [Periódico revisado por pares]

American Chemical Society

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8
Diffusiophoresis in Suspensions of Charged Porous Particles
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Diffusiophoresis in Suspensions of Charged Porous Particles

Huang, Hsin Y ; Keh, Huan J

The journal of physical chemistry. B, 2015-02, Vol.119 (5), p.2040-2050 [Periódico revisado por pares]

United States: American Chemical Society

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9
Insights into the Lactonase Mechanism of Serum Paraoxonase 1 (PON1): Experimental and Quantum Mechanics/Molecular Mechanics (QM/MM) Studies
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Insights into the Lactonase Mechanism of Serum Paraoxonase 1 (PON1): Experimental and Quantum Mechanics/Molecular Mechanics (QM/MM) Studies

Le, Quang Anh Tuan ; Kim, Seonghoon ; Chang, Rakwoo ; Kim, Yong Hwan

The journal of physical chemistry. B, 2015-07, Vol.119 (30), p.9571-9585 [Periódico revisado por pares]

United States: American Chemical Society

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10
Surface Tension of Supercooled Water Determined by Using a Counterpressure Capillary Rise Method
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Surface Tension of Supercooled Water Determined by Using a Counterpressure Capillary Rise Method

Vinš, Václav ; Fransen, Maurice ; Hykl, Jiří ; Hrubý, Jan

The journal of physical chemistry. B, 2015-04, Vol.119 (17), p.5567-5575 [Periódico revisado por pares]

United States: American Chemical Society

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Deste Autor:

  1. Charry, J
  2. Santana, A
  3. Varella, M
  4. Bergami, M
  5. Coutinho, K

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