Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
Sensing of toxic Lewisite (L1, L2, and L3) molecules by graphdiyne nanoflake using density functional theory calculations and quantum theory of atoms in molecule analysisKhan, Sidra ; Sajid, Hasnain ; Ayub, Khurshid ; Mahmood, TariqJournal of physical organic chemistry, 2021-05, Vol.34 (5), p.n/a [Periódico revisado por pares]Bognor Regis: Wiley Subscription Services, IncTexto completo disponível |
|
2 |
Material Type: Livro
|
Quantum chemistryHenry Eyring 1901- John Edwin Walter; George Elbert Kimball 1906-New York London J. Wiley & Sons Chapman & Hall 1944Localização: CQ - Conjunto das Químicas (541.28 E93q e.2 )(Acessar) |
|
3 |
Material Type: Artigo
|
The ‘Quantal Newtonian’ First Law: A Complementary Perspective to the Stationary‐state Quantum Theory of ElectronsSahni, VirahtChemphyschem, 2022-09, Vol.23 (18), p.e202200160-n/a [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
|
4 |
Material Type: Livro
|
Problems in quantum chemistryPoul Jørgensen 1944- Jens Oddershede 1945-Reading, Mass. Advanced Book Program/World Science Division, Addison-Wesley 1983Localização: IFSC - Inst. Física de São Carlos (541.28 J82p )(Acessar) |
|
5 |
Material Type: Livro
|
Quantum mechanics in chemistryMelvin W. HannaMenlo Park, Calif. Benjamin/Cummings Pub. Co. c1981Localização: FFCLRP - Fac. Fil. Ciên. Let. de R. Preto (530.145 H243q3 ) e outros locais(Acessar) |
|
6 |
Material Type: Artigo
|
Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossingAlthorpe, Stuart C ; Hele, Timothy J HThe Journal of chemical physics, 2013-08, Vol.139 (8), p.084115-084115 [Periódico revisado por pares]United StatesTexto completo disponível |
|
7 |
Material Type: Artigo
|
The kernel energy method applied to quantum theory of atoms in molecules – energies of interacting quantum atomsMassa, Lou ; Keith, Todd ; Cheng, Youji ; Matta, Chérif F.Chemical physics letters, 2019-11, Vol.734, p.136650, Article 136650 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
|
8 |
Material Type: Artigo
|
Interacting Quantum Atoms: A Correlated Energy Decomposition Scheme Based on the Quantum Theory of Atoms in MoleculesBlanco, M. A ; Martín Pendás, A ; Francisco, EJournal of chemical theory and computation, 2005-11, Vol.1 (6), p.1096-1109 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
|
9 |
Material Type: Artigo
|
Resolving the π-assisted U–N σ f -bond formation using quantum information theoryLeszczyk, Aleksandra ; Dome, Tibor ; Tecmer, Paweł ; Kedziera, Dariusz ; Boguslawski, KatharinaPhysical chemistry chemical physics : PCCP, 2022-09, Vol.24 (35), p.21296-21307 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
|
10 |
Material Type: Artigo
|
Introducing the γ function in quantum theorySurján, Péter R.International journal of quantum chemistry, 2020-07, Vol.120 (13), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |