Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
![]() |
Theoretical Investigations on Chalcogen−Chalcogen Interactions: What Makes These Nonbonded Interactions Bonding?Bleiholder, Christian ; Werz, Daniel B ; Köppel, Horst ; Gleiter, RolfJournal of the American Chemical Society, 2006-03, Vol.128 (8), p.2666-2674 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
2 |
Material Type: Artigo
|
![]() |
Optical rotation studied by density-functional and coupled-cluster methodsRuud, Kenneth ; Helgaker, TrygveChemical physics letters, 2002-02, Vol.352 (5), p.533-539 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
3 |
Material Type: Artigo
|
![]() |
On the Nature of the Low-Lying Singlet States of 4-(Dimethyl-amino)benzonitrileKöhn, Andreas ; Hättig, ChristofJournal of the American Chemical Society, 2004-06, Vol.126 (23), p.7399-7410 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
4 |
Material Type: Artigo
|
![]() |
Calculations of two-photon absorption cross sections by means of density-functional theorySałek, Paweł ; Vahtras, Olav ; Guo, Jingdong ; Luo, Yi ; Helgaker, Trygve ; Ågren, HansChemical physics letters, 2003-06, Vol.374 (5), p.446-452 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
5 |
Material Type: Artigo
|
![]() |
Coupled-cluster calculations of optical rotationRuud, Kenneth ; Stephens, Philip J. ; Devlin, Frank J. ; Taylor, Peter R. ; Cheeseman, James R. ; Frisch, Michael J.Chemical physics letters, 2003-05, Vol.373 (5), p.606-614 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
6 |
Material Type: Livro
|
![]() |
Semiclassical Theory of AtomsEnglert, Berthold-GeorgBerlin, Heidelberg: Springer Berlin Heidelberg 1988Texto completo disponível |
7 |
Material Type: Artigo
|
![]() |
Theoretical Prediction of Noble Gas Containing Anions FNgO- (Ng = He, Ar, and Kr)Li, Tsung-Hui ; Mou, Chun-Hao ; Chen, Hui-Ru ; Hu, Wei-PingJournal of the American Chemical Society, 2005-06, Vol.127 (25), p.9241-9245 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
8 |
Material Type: Artigo
|
![]() |
A Priori Assessment of the Stereoelectronic Profile of Phosphines and PhosphitesCooney, Katharine D ; Cundari, Thomas R ; Hoffman, Norris W ; Pittard, Karl A ; Temple, M. Danielle ; Zhao, YongJournal of the American Chemical Society, 2003-04, Vol.125 (14), p.4318-4324 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
9 |
Material Type: Artigo
|
![]() |
Generalized Mulliken−Hush Analysis of Electronic Coupling Interactions in Compressed π-Stacked Porphyrin−Bridge−Quinone SystemsZheng, Jieru ; Kang, Youn K ; Therien, Michael J ; Beratan, David NJournal of the American Chemical Society, 2005-08, Vol.127 (32), p.11303-11310 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
10 |
Material Type: Artigo
|
![]() |
Mono- and Dibridged Isomers of Si2H3 and Si2H4: the True Ground State Global Minima. Theory and Experiment in ConcertSari, Levent ; McCarthy, M. C ; Schaefer, Henry F ; Thaddeus, PJournal of the American Chemical Society, 2003-09, Vol.125 (37), p.11409-11417 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |