Resultados de 1 a 10 de 43.961 para Busca Geral
Ordenado por:
Ordenado por:
RelevânciaOr hit Enter to replace sort method
- Relevância
- Data mais recente
- Data mais antiga
- Mais acessados
- Autor
- Título
Mostrar Somente
- Revistas revisadas por pares (43.920)
Refinado por:
Base de dados/Biblioteca:
Materials Research Database
assunto:
Physics, Atomic, Molecular & Chemical
assunto:
Physics, Atomic, Molecular & Chemical
| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
|---|---|---|---|
| 1 |
Material Type: Artigo
|
|
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials scienceTeale, Andrew M ; Helgaker, Trygve ; Savin, Andreas ; Adamo, Carlo ; Aradi, Bálint ; Arbuznikov, Alexei V ; Ayers, Paul W ; Baerends, Evert Jan ; Barone, Vincenzo ; Calaminici, Patrizia ; Cancès, Eric ; Carter, Emily A ; Chattaraj, Pratim Kumar ; Chermette, Henry ; Ciofini, Ilaria ; Crawford, T. Daniel ; De Proft, Frank ; Dobson, John F ; Draxl, Claudia ; Frauenheim, Thomas ; Fromager, Emmanuel ; Fuentealba, Patricio ; Gagliardi, Laura ; Galli, Giulia ; Gao, Jiali ; Geerlings, Paul ; Gidopoulos, Nikitas ; Gill, Peter M. W ; Gori-Giorgi, Paola ; Görling, Andreas ; Gould, Tim ; Grimme, Stefan ; Gritsenko, Oleg ; Jensen, Hans Jørgen Aagaard ; Johnson, Erin R ; Jones, Robert O ; Kaupp, Martin ; Köster, Andreas M ; Kronik, Leeor ; Krylov, Anna I ; Kvaal, Simen ; Laestadius, Andre ; Levy, Mel ; Lewin, Mathieu ; Liu, Shubin ; Loos, Pierre-François ; Maitra, Neepa T ; Neese, Frank ; Perdew, John P ; Pernal, Katarzyna ; Pernot, Pascal ; Piecuch, Piotr ; Rebolini, Elisa ; Reining, Lucia ; Romaniello, Pina ; Ruzsinszky, Adrienn ; Salahub, Dennis R ; Scheffler, Matthias ; Schwerdtfeger, Peter ; Staroverov, Viktor N ; Sun, Jianwei ; Tellgren, Erik ; Tozer, David J ; Trickey, Samuel B ; Ullrich, Carsten A ; Vela, Alberto ; Vignale, Giovanni ; Wesolowski, Tomasz A ; Xu, Xin ; Yang, WeitaoPhysical chemistry chemical physics : PCCP, 2022-12, Vol.24 (47), p.287-28781 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
| 2 |
Material Type: Artigo
|
|
CRYSTAL23: A Program for Computational Solid State Physics and ChemistryErba, Alessandro ; Desmarais, Jacques K. ; Casassa, Silvia ; Civalleri, Bartolomeo ; Donà, Lorenzo ; Bush, Ian J. ; Searle, Barry ; Maschio, Lorenzo ; Edith-Daga, Loredana ; Cossard, Alessandro ; Ribaldone, Chiara ; Ascrizzi, Eleonora ; Marana, Naiara L. ; Flament, Jean-Pierre ; Kirtman, BernardJournal of chemical theory and computation, 2023-10, Vol.19 (20), p.6891-6932 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 3 |
Material Type: Artigo
|
|
A perspective on quantum mechanics and chemical concepts in describing noncovalent interactionsClark, Timothy ; Murray, Jane S ; Politzer, PeterPhysical chemistry chemical physics : PCCP, 2018-12, Vol.2 (48), p.376-382 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
| 4 |
Material Type: Artigo
|
|
A Multireference Quantum Krylov Algorithm for Strongly Correlated ElectronsStair, Nicholas H ; Huang, Renke ; Evangelista, Francesco AJournal of chemical theory and computation, 2020-04, Vol.16 (4), p.2236-2245 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 5 |
Material Type: Artigo
|
|
How accurate are static polarizability predictions from density functional theory? An assessment over 132 species at equilibrium geometryHait, Diptarka ; Head-Gordon, MartinPhysical chemistry chemical physics : PCCP, 2018, Vol.20 (30), p.19800-19810 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
| 6 |
Material Type: Artigo
|
|
Understanding specific ion effects and the Hofmeister seriesGregory, Kasimir P ; Elliott, Gareth R ; Robertson, Hayden ; Kumar, Anand ; Wanless, Erica J ; Webber, Grant B ; Craig, Vincent S. J ; Andersson, Gunther G ; Page, Alister JPhysical chemistry chemical physics : PCCP, 2022-06, Vol.24 (21), p.12682-12718 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
| 7 |
Material Type: Artigo
|
|
Ion Mobilities in Diatomic Gases: Measurement versus Prediction with Non-Specular Scattering ModelsLarriba, Carlos ; Hogan, Christopher JThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-05, Vol.117 (19), p.3887-3901 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
| 8 |
Material Type: Artigo
|
|
Diffusion-influenced reactions on non-spherical partially absorbing axisymmetric surfacesPiazza, Francesco ; Grebenkov, DenisPhysical chemistry chemical physics : PCCP, 2019-11, Vol.21 (46), p.25896-2596 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
| 9 |
Material Type: Artigo
|
|
A Practical Guide to Density Matrix Embedding Theory in Quantum ChemistryWouters, Sebastian ; Jiménez-Hoyos, Carlos A ; Sun, Qiming ; Chan, Garnet K.-LJournal of chemical theory and computation, 2016-06, Vol.12 (6), p.2706-2719 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 10 |
Material Type: Artigo
|
|
ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in SolutionTian, Chuan ; Kasavajhala, Koushik ; Belfon, Kellon A. A ; Raguette, Lauren ; Huang, He ; Migues, Angela N ; Bickel, John ; Wang, Yuzhang ; Pincay, Jorge ; Wu, Qin ; Simmerling, CarlosJournal of chemical theory and computation, 2020-01, Vol.16 (1), p.528-552 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
Resultados de 1 a 10 de 43.961 para Busca Geral
Ordenado por:
Ordenado por:
RelevânciaOr hit Enter to replace sort method
- Relevância
- Data mais recente
- Data mais antiga
- Mais acessados
- Autor
- Título
Personalize Seus Resultados
Refine Search Results
Expandir Meus Resultados
Mostrar Somente
- Revistas revisadas por pares (43.920)
Assunto
- Chemistry (41.414)
- Chemistry, Physical (41.411)
- Technology (7.532)
- Nuclear Science & Technology (6.893)
- Mathematical Analysis (6.605)
- Molecular Dynamics (5.143)
- Physical And Theoretical Chemistry (4.966)
- Density Functional Theory (4.464)
- Computer Simulation (3.523)
- General Physics And Astronomy (3.386)
- Mathematical Models (2.907)
- Simulation (2.296)
- Molecular Structure (2.077)
- First Principles (2.059)
- Excitation (1.982)
- Organic Chemistry (1.863)
-
Mais opções
Data de Publicação
- Antes de1992 (274)
- 1992Até1999 (493)
- 2000Até2007 (2.088)
- 2008Até2016 (15.362)
- Após 2016 (25.745)
-
Mais opções
Base de Dados/Biblioteca
- METADEX (41.655)
- Engineered Materials Abstracts (41.243)
- Science Citation Index Expanded (Web of Science) (37.551)
- EZB Electronic Journals Library (25.578)
- Royal Society of Chemistry Journals Archive (1841-2007) (24.512)
- Royal Society Of Chemistry Journals (24.484)
- American Chemical Society (ACS) Journals (8.609)
- ScienceDirect Additional Titles (6.962)
- IngentaConnect Journals (4.143)
- Taylor & Francis Open access Read & Publish (2.496)
- Taylor & Francis Online (2.496)
- Taylor & Francis JUSTICEコンソーシアム (2.496)
- Aerospace Database (1.238)
- DOAJ Directory of Open Access Journals (1.068)
- Institute of Physics Journals (850)
- HEAL-Link subscriptions: Institute of Physics (IOP) Journals (850)
- Institute of Physics IOPscience extra (850)
- Aluminium Industry Abstracts (822)
- Environmental Engineering Abstracts (776)
-
Mais opções
Nome da Publicação
- Physical Chemistry Chemical Physics : Pccp (24.484)
- Radiation Physics And Chemistry (5.275)
- Journal Of Chemical Theory And Computation (4.934)
- The Journal Of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory (3.674)
- Physical Chemistry Chemical Physics (3.260)
- Molecular Simulation (2.173)
- Nuclear Instruments & Methods In Physics Research. Section B, Beam Interactions With Materials And Atoms (1.618)
- The Journal Of Physical Chemistry A (907)
- Journal Of Physics. Conference Series (758)
- Journal Of Physics: Conference Series (753)
-
Mais opções
Página Inicial
RSS
Feed
Políticas
Fale Conosco-
Realização:
Logos de Redes Sociais: 