skip to main content
Idioma:
Resultados 1 2 3 4 5 next page
Mostrar Somente
Refinado por: Nome da Publicação: Journal Of Chemical Physics remover nível superior: Recursos Online remover
Result Number Material Type Add to My Shelf Action Record Details and Options
1
The dispersion interaction between quantum mechanics and effective fragment potential molecules
The dispersion interaction between quantum mechanics and effective fragment potential molecules
Material Type:
Artigo 		Adicionar ao Meu Espaço

The dispersion interaction between quantum mechanics and effective fragment potential molecules

Smith, Quentin A ; Ruedenberg, Klaus ; Gordon, Mark S ; Slipchenko, Lyudmila V

The Journal of chemical physics, 2012-06, Vol.136 (24), p.244107-244107 [Periódico revisado por pares]

United States

Texto completo disponível

Citações Citado por
2
Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene
Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene
Material Type:
Artigo 		Adicionar ao Meu Espaço

Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene

Kaline Rabelo Coutinho Sylvio Canuto; M C Zerner

Journal of Chemical Physics New York v. 112, n. 22, p. 9874-9880, 2000

New York 2000

Acesso online

3
Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approach
Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approach
Material Type:
Artigo 		Adicionar ao Meu Espaço

Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approach

Tania S Almeida Kaline Rabelo Coutinho; Benedito J Costa Cabral; Sylvio Canuto

Journal of Chemical Physics v. 128, n. 1, p. 014506/1-014506/9, 2008

New York 2008

Acesso online

4
Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene
Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene
Material Type:
Artigo 		Adicionar ao Meu Espaço

Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene

Kaline Rabelo Coutinho Sylvio Canuto; M C Zerner

Journal of Chemical Physics New York v. 112, n. 22, p. 9874-9880, 2000

New York 2000

Acesso online

5
Scalable molecular dynamics on CPU and GPU architectures with NAMD
Scalable molecular dynamics on CPU and GPU architectures with NAMD
Material Type:
Artigo 		Adicionar ao Meu Espaço

Scalable molecular dynamics on CPU and GPU architectures with NAMD

Phillips, James C. ; Hardy, David J. ; Maia, Julio D. C. ; Stone, John E. ; Ribeiro, João V. ; Bernardi, Rafael C. ; Buch, Ronak ; Fiorin, Giacomo ; Hénin, Jérôme ; Jiang, Wei ; McGreevy, Ryan ; Melo, Marcelo C. R. ; Radak, Brian K. ; Skeel, Robert D. ; Singharoy, Abhishek ; Wang, Yi ; Roux, Benoît ; Aksimentiev, Aleksei ; Luthey-Schulten, Zaida ; Kalé, Laxmikant V. ; Schulten, Klaus ; Chipot, Christophe ; Tajkhorshid, Emad

The Journal of chemical physics, 2020-07, Vol.153 (4), p.044130-044130 [Periódico revisado por pares]

United States: American Institute of Physics

Texto completo disponível

Citações Citado por
6
Quantum heat transport of a two-qubit system: Interplay between system-bath coherence and qubit-qubit coherence
Quantum heat transport of a two-qubit system: Interplay between system-bath coherence and qubit-qubit coherence
Material Type:
Artigo 		Adicionar ao Meu Espaço

Quantum heat transport of a two-qubit system: Interplay between system-bath coherence and qubit-qubit coherence

Kato, Akihito ; Tanimura, Yoshitaka

The Journal of chemical physics, 2015-08, Vol.143 (6), p.064107-064107 [Periódico revisado por pares]

United States: American Institute of Physics

Texto completo disponível

Citações Citado por
7
Guidelines for creating artificial neural network empirical interatomic potential from first-principles molecular dynamics data under specific conditions and its application to α-Ag2Se
Guidelines for creating artificial neural network empirical interatomic potential from first-principles molecular dynamics data under specific conditions and its application to α-Ag2Se
Material Type:
Artigo 		Adicionar ao Meu Espaço

Guidelines for creating artificial neural network empirical interatomic potential from first-principles molecular dynamics data under specific conditions and its application to α-Ag2Se

Shimamura, Kohei ; Fukushima, Shogo ; Koura, Akihide ; Shimojo, Fuyuki ; Misawa, Masaaki ; Kalia, Rajiv K. ; Nakano, Aiichiro ; Vashishta, Priya ; Matsubara, Takashi ; Tanaka, Shigenori

The Journal of chemical physics, 2019-09, Vol.151 (12) [Periódico revisado por pares]

Melville: American Institute of Physics

Texto completo disponível

Citações Citado por
8
Linear and third- and fifth-order nonlinear spectroscopies of a charge transfer system coupled to an underdamped vibration
Linear and third- and fifth-order nonlinear spectroscopies of a charge transfer system coupled to an underdamped vibration
Material Type:
Artigo 		Adicionar ao Meu Espaço

Linear and third- and fifth-order nonlinear spectroscopies of a charge transfer system coupled to an underdamped vibration

Dijkstra, Arend G ; Tanimura, Yoshitaka

The Journal of chemical physics, 2015-06, Vol.142 (21), p.212423-212423 [Periódico revisado por pares]

United States: American Institute of Physics

Texto completo disponível

Citações Citado por
9
Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution: excited-state QM/MM molecular dynamics simulations
Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution: excited-state QM/MM molecular dynamics simulations
Material Type:
Artigo 		Adicionar ao Meu Espaço

Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution: excited-state QM/MM molecular dynamics simulations

Nakayama, Akira ; Arai, Gaku ; Yamazaki, Shohei ; Taketsugu, Tetsuya

The Journal of chemical physics, 2013-12, Vol.139 (21), p.214304-214304 [Periódico revisado por pares]

United States: American Institute of Physics

Texto completo disponível

Citações Citado por
10
Thermal decomposition of CH3CHO studied by matrix infrared spectroscopy and photoionization mass spectroscopy
Thermal decomposition of CH3CHO studied by matrix infrared spectroscopy and photoionization mass spectroscopy
Material Type:
Artigo 		Adicionar ao Meu Espaço

Thermal decomposition of CH3CHO studied by matrix infrared spectroscopy and photoionization mass spectroscopy

Vasiliou, AnGayle K ; Piech, Krzysztof M ; Reed, Beth ; Zhang, Xu ; Nimlos, Mark R ; Ahmed, Musahid ; Golan, Amir ; Kostko, Oleg ; Osborn, David L ; David, Donald E ; Urness, Kimberly N ; Daily, John W ; Stanton, John F ; Ellison, G Barney

The Journal of chemical physics, 2012-10, Vol.137 (16), p.164308-164308 [Periódico revisado por pares]

United States

Texto completo disponível

Citações Citado por
Resultados 1 2 3 4 5 next page

Personalize Seus Resultados

  1. Editar

Refine Search Results

Expandir Meus Resultados

  1.   

Mostrar Somente

  1. Revistas revisadas por pares (340)

Data de Publicação 

De até
Refinar
  1. Antes de1959  (40)
  2. 1959Até1988  (170)
  3. 1989Até2001  (85)
  4. 2002Até2011  (39)
  5. Após 2011  (23)
  6. Mais opções open sub menu

Novas Pesquisas Sugeridas

Ignorar minha busca e procurar por tudo

Deste Autor:

  1. Coutinho, K
  2. Canuto, S
  3. Fonseca, T
  4. Georg, H
  5. Zerner, M

Neste Assunto:

  1. Physics
  2. Chemistry
  3. Physics, Atomic, Molecular & Chemical
  4. Physical Sciences
  5. Science & Technology

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

Buscando em bases de dados remotas. Favor aguardar.