검색결과 : 18건
| No. | Article |
|---|---|
| 1 |
Conformational pathways of saturated six-membered rings. A static and dynamical density functional study Ionescu AR, Berces A, Zgierski MZ, Whitfield DM, Nukada T Journal of Physical Chemistry A, 109(36), 8096, 2005 |
| 2 |
Above-threshold effects in the photodissociation and photoionization of iodobenzene Unny S, Du Y, Zhu LC, Truhins K, Gordon RJ, Sugita A, Kawasaki M, Matsumi Y, Delmdahl R, Parker DH, Berces A Journal of Physical Chemistry A, 105(11), 2270, 2001 |
| 3 |
Bond energies and bonding interactions in Fe(CO)(5-n)(N-2)(n) (n=0-5) and Cr(CO)(6-n)(N-2)(n) (n=0-6) complexes: Density functional theory calculations and comparisons to experimental data Cedeno DL, Weitz E, Berces A Journal of Physical Chemistry A, 105(15), 3773, 2001 |
| 4 |
Bonding interactions in olefin (C2X4, X = H, F, Cl, Br, I, CN) iron tetracarbonyl complexes: Role of the deformation energy in bonding and reactivity Cedeno DL, Weitz E, Berces A Journal of Physical Chemistry A, 105(34), 8077, 2001 |
| 5 |
The conformational origin of the barrier to the formation of neighboring group assistance in glycosylation reactions: A dynamical density functional theory study Berces A, Enright G, Nukada T, Whitfield DM Journal of the American Chemical Society, 123(23), 5460, 2001 |
| 6 |
Solvation of Cu2+ in water and ammonia insight from static and dynamical density functional theory Berces A, Nukada T, Margl P, Ziegler T Journal of Physical Chemistry A, 103(48), 9693, 1999 |
| 7 |
Reactivity of niobium clusters with nitrogen and deuterium Berces A, Hackett PA, Lian L, Mitchell SA, Rayner DM Journal of Chemical Physics, 108(13), 5476, 1998 |
| 8 |
Reactions between M-n (M = Nb, Mo and n = 1, 2, 3, and 4) and N-2. A density functional study Berces A, Mitchell SA, Zgierski MZ Journal of Physical Chemistry A, 102(31), 6340, 1998 |
| 9 |
Low-lying spin states of iron(II) porphine Kozlowski PM, Spiro TG, Berces A, Zgierski MZ Journal of Physical Chemistry B, 102(14), 2603, 1998 |
| 10 |
Exploring the mechanism of neighboring group assisted glycosylation reactions Nukada T, Berces A, Zgierski MZ, Whitfield DM Journal of the American Chemical Society, 120(51), 13291, 1998 |