화학공학소재연구정보센터
검색결과 : 22건
No. Article
1 Structure-property relationships in phosphole-containing pi-conjugated systems: A quantum chemical study
Delaere D, Nguyen MT, Vanquickenborne LG
Journal of Physical Chemistry A, 107(6), 838, 2003
2 A theoretical study on the molecular and electronic structure of heteroaromatic bowl-shaped molecules
Delaere D, Nguyen MT, Vanquickenborne LG
Chemical Physics Letters, 333(1-2), 103, 2001
3 How the fourteen most stable CH4P2 isomers interconvert - An ab initio/NMR study
Dransfeld A, Landuyt L, Flock M, Nguyen MT, Vanquickenborne LG
Journal of Physical Chemistry A, 105(5), 838, 2001
4 Theoretical models of exchange interactions in dimeric transition-metal complexes
Ceulemans A, Chibotaru LF, Heylen GA, Pierloot K, Vanquickenborne LG
Chemical Reviews, 100(2), 787, 2000
5 p-phenylbisphosphinidene and its carbene and nitrene analogues: An ab initio study
Flock M, Pierloot K, Nguyen MT, Vanquickenborne LG
Journal of Physical Chemistry A, 104(17), 4022, 2000
6 Efficient Calculation of Isotropic Hyperfine Constants of Phosphorus Radicals Using Density-Functional Theory
Nguyen MT, Creve S, Vanquickenborne LG
Journal of Physical Chemistry A, 101(17), 3174, 1997
7 How many water molecules are actively involved in the neutral hydration of carbon dioxide?
Nguyen MT, Raspoet G, Vanquickenborne LG, VanDuijnen PT
Journal of Physical Chemistry A, 101(40), 7379, 1997
8 A New Look at the Classical Beckmann Rearrangement - A Strong Case of Active Solvent Effect
Nguyen MT, Raspoet G, Vanquickenborne LG
Journal of the American Chemical Society, 119(10), 2552, 1997
9 A Density-Functional Study of the Structure and Stability of Crf4, Crf5, and Crf6
Vanquickenborne LG, Vinckier AE, Pierloot K
Inorganic Chemistry, 35(5), 1305, 1996
10 Theoretical-Analysis of Reactions Between Phosphanylnitrenes and Boranes - The Fate of the Adducts
Nguyen MT, Vankeer A, Vanquickenborne LG
Inorganic Chemistry, 35(14), 4185, 1996