skip to main content
Idioma:
Primo Advanced Search
Primo Advanced Search Query Term
Primo Advanced Search Query Term
Primo Advanced Search Query Term
Primo Advanced Search prefilters
Busca Simples
Resultados 1 2 3 4 5 next page
Refinado por: Nome da Publicação: Journal Of Computational Chemistry remover
Result Number Material Type Add to My Shelf Action Record Details and Options
1
PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints
PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints
Material Type:
Artigo 		Adicionar ao Meu Espaço

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

Yap, Chun Wei

Journal of computational chemistry, 2011-05, Vol.32 (7), p.1466-1474 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

Texto completo disponível

Citações Citado por
2
Gabedit—A graphical user interface for computational chemistry softwares
Gabedit—A graphical user interface for computational chemistry softwares
Material Type:
Artigo 		Adicionar ao Meu Espaço

Gabedit—A graphical user interface for computational chemistry softwares

Allouche, Abdul‐Rahman

Journal of computational chemistry, 2011-01, Vol.32 (1), p.174-182 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

Texto completo disponível

Citações Citado por
3
New ways to boost molecular dynamics simulations
New ways to boost molecular dynamics simulations
Material Type:
Artigo 		Adicionar ao Meu Espaço

New ways to boost molecular dynamics simulations

Krieger, Elmar ; Vriend, Gert

Journal of computational chemistry, 2015-05, Vol.36 (13), p.996-1007 [Periódico revisado por pares]

United States: Blackwell Publishing Ltd

Texto completo disponível

Citações Citado por
4
PACKMOL: A package for building initial configurations for molecular dynamics simulations
PACKMOL: A package for building initial configurations for molecular dynamics simulations
Material Type:
Artigo 		Adicionar ao Meu Espaço

PACKMOL: A package for building initial configurations for molecular dynamics simulations

Martínez, L ; Andrade, R ; Birgin, E.G ; Martínez, J.M

Journal of computational chemistry, 2009-10, Vol.30 (13), p.2157-2164 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

Texto completo disponível

Citações Citado por
5
Analysis of the bond-valence method for calculating ^sup 29^Si and ^sup 31^P magnetic shielding in covalent network solids
Analysis of the bond-valence method for calculating ^sup 29^Si and ^sup 31^P magnetic shielding in covalent network solids
Material Type:
Artigo 		Adicionar ao Meu Espaço

Analysis of the bond-valence method for calculating ^sup 29^Si and ^sup 31^P magnetic shielding in covalent network solids

Holmes, Sean T ; Alkan, Fahri ; Iuliucci, Robbie J ; Mueller, Karl T ; Dybowski, Cecil

Journal of computational chemistry, 2016-07, Vol.37 (18), p.1704 [Periódico revisado por pares]

New York: Wiley Subscription Services, Inc

Texto completo disponível

Citações Citado por
6
Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks
Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks
Material Type:
Artigo 		Adicionar ao Meu Espaço

Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks

Huang, Jing ; Lemkul, Justin A. ; Eastman, Peter K. ; MacKerell, Alexander D.

Journal of computational chemistry, 2018-08, Vol.39 (21), p.1682-1689 [Periódico revisado por pares]

United States: Wiley Subscription Services, Inc

Texto completo disponível

Citações Citado por
7
GLYCAM06: A generalizable biomolecular force field. Carbohydrates
GLYCAM06: A generalizable biomolecular force field. Carbohydrates
Material Type:
Artigo 		Adicionar ao Meu Espaço

GLYCAM06: A generalizable biomolecular force field. Carbohydrates

Kirschner, Karl N ; Yongye, Austin B ; Tschampel, Sarah M ; González-Outeiriño, Jorge ; Daniels, Charlisa R ; Foley, B. Lachele ; Woods, Robert J

Journal of computational chemistry, 2008-03, Vol.29 (4), p.622-655 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

Texto completo disponível

Citações Citado por
8
Linear, planar, and tubular molecular structures constructed by double planar tetracoordinate carbon D^sub 2h^ C^sub 2^(BeH)^sub 4^ species via hydrogen-bridged - BeH^sub 2^Be - bonds
Linear, planar, and tubular molecular structures constructed by double planar tetracoordinate carbon D^sub 2h^ C^sub 2^(BeH)^sub 4^ species via hydrogen-bridged - BeH^sub 2^Be - bonds
Material Type:
Artigo 		Adicionar ao Meu Espaço

Linear, planar, and tubular molecular structures constructed by double planar tetracoordinate carbon D^sub 2h^ C^sub 2^(BeH)^sub 4^ species via hydrogen-bridged - BeH^sub 2^Be - bonds

Zhao, Xue-Feng ; Li, Haixia ; Yuan, Cai-Xia ; Li, Yan-Qin ; Wu, Yan-Bo ; Wang, Zhi-Xiang

Journal of computational chemistry, 2016-01, Vol.37 (2), p.261 [Periódico revisado por pares]

New York: Wiley Subscription Services, Inc

Texto completo disponível

Citações Citado por
9
Lightweight object oriented structure analysis: Tools for building tools to analyze molecular dynamics simulations
Lightweight object oriented structure analysis: Tools for building tools to analyze molecular dynamics simulations
Material Type:
Artigo 		Adicionar ao Meu Espaço

Lightweight object oriented structure analysis: Tools for building tools to analyze molecular dynamics simulations

Romo, Tod D. ; Leioatts, Nicholas ; Grossfield, Alan

Journal of computational chemistry, 2014-12, Vol.35 (32), p.2305-2318 [Periódico revisado por pares]

United States: Blackwell Publishing Ltd

Texto completo disponível

Citações Citado por
10
Implementation of empirical dispersion corrections to density functional theory for periodic systems
Implementation of empirical dispersion corrections to density functional theory for periodic systems
Material Type:
Artigo 		Adicionar ao Meu Espaço

Implementation of empirical dispersion corrections to density functional theory for periodic systems

Reckien, Werner ; Janetzko, Florian ; Peintinger, Michael F. ; Bredow, Thomas

Journal of computational chemistry, 2012-09, Vol.33 (25), p.2023-2031 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

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.   

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

Buscando em bases de dados remotas. Favor aguardar.