화학공학소재연구정보센터
검색결과 : 22건
No. Article
1 Interplay between Forster and Dexter Energy Transfer Rates in Isomeric Donor-Bridge-Acceptor Systems
Cravcenco A, Ye C, Grafenstein J, Borjesson K
Journal of Physical Chemistry A, 124(36), 7219, 2020
2 Halogen Bond Asymmetry in Solution
Lindblad S, Mehmeti K, Veiga AX, Nekoueishahraki B, Grafenstein J, Erdelyi M
Journal of the American Chemical Society, 140(41), 13503, 2018
3 Carbon's Three-Center, Four-Electron Tetrel Bond, Treated Experimentally
Karim A, Schulz N, Andersson H, Nekoueishahraki B, Carlsson ACC, Sarabi D, Valkonen A, Rissanen K, Grafenstein J, Keller S, Erdelyi M
Journal of the American Chemical Society, 140(50), 17571, 2018
4 Substituent Effects on the [N-I-N](+) Halogen Bond
Carlsson ACC, Mehmeti K, Uhrbom M, Karim A, Bedin M, Puttreddy R, Kleinmaier R, Neverov AA, Nekoueishahraki B, Grafenstein J, Rissanen K, Erdelyi M
Journal of the American Chemical Society, 138(31), 9853, 2016
5 Symmetric Halogen Bonding Is Preferred in Solution
Carlsson ACC, Grafenstein J, Budnjo A, Laurila JL, Bergquist J, Karim A, Kleinmaier R, Brath U, Erdelyi M
Journal of the American Chemical Society, 134(12), 5706, 2012
6 Elucidation of the electronic structure of molecules with the help of NMR spin-spin coupling constants: The FH molecule
Grafenstein J, Tuttle T, Cremer D
Journal of Physical Chemistry A, 109(10), 2325, 2005
7 Analysis of the paramagnetic spin-orbit transmission mechanism for NMR spin-spin coupling constants using the paramagnetic spin-orbit density distribution
Grafenstein J, Cremer D
Chemical Physics Letters, 383(3-4), 332, 2004
8 Analysis of the spin-dipole transmission mechanism for NMR spin-spin coupling constants using orbital contributions, spin polarization, and spin-dipole energy density distribution
Grafenstein J, Cremer D
Chemical Physics Letters, 387(4-6), 415, 2004
9 Analysis of the NMR through-space coupling mechanism between F-19 atoms
Tuttle T, Grafenstein J, Cremer D
Chemical Physics Letters, 394(1-3), 5, 2004
10 The impact of the self-interaction error on the density functional theory description of dissociating radical cations: Ionic and covalent dissociation limits
Grafenstein J, Kraka E, Cremer D
Journal of Chemical Physics, 120(2), 524, 2004