화학공학소재연구정보센터
검색결과 : 36건
No. Article
1 Spin-Coupled Generalized Valence Bond Theory: New Perspectives on the Electronic Structure of Molecules and Chemical Bonds
Dunning TH, Xu LT, Cooper DL, Karadakov PB
Journal of Physical Chemistry A, 125(10), 2021, 2021
2 Excited-State Aromaticity Reversals in Mobius Annulenes
Karadakov PB, Di MK, Cooper DL
Journal of Physical Chemistry A, 124(46), 9611, 2020
3 Surface tension, density and composition in the methane-pentane system at high pressure
Satherley J, Cooper DL, Schiffrin DJ
Fluid Phase Equilibria, 456, 193, 2018
4 Electronic Structure and Bonding Situation in M2O2 (M = Be, Mg, Ca) Rhombic Clusters
Li WL, Lu JB, Zhao LL, Ponec R, Cooper DL, Li J, Frenking G
Journal of Physical Chemistry A, 122(10), 2816, 2018
5 Modern Valence-Bond Description of Homoaromaticity
Karadakov PB, Cooper DL
Journal of Physical Chemistry A, 120(43), 8769, 2016
6 Bonding in Singlet and Triplet Butalene: Insights from Spin-Coupled Theory
Cooper DL, Karadakov PB, Duke BJ
Journal of Physical Chemistry A, 119(10), 2169, 2015
7 Spin-Coupled Theory for'N Electrons in M Orbitals' Active Spaces
Karadakov PB, Cooper DL, Duke BJ, Li JB
Journal of Physical Chemistry A, 116(26), 7238, 2012
8 Influence of Atoms-in-Molecules Methods on Shared-Electron Distribution Indices and Domain-Averaged Fermi Holes
Bultinck P, Cooper DL, Ponec R
Journal of Physical Chemistry A, 114(33), 8754, 2010
9 Spin-Coupled Description of Aromaticity in the Retro Diels-Alder Reaction of Norbornene
Hill JG, Cooper DL, Karadakov PB
Journal of Physical Chemistry A, 112(50), 12823, 2008
10 Modern valence-bond-like representations of selected D-6h "aromatic" rings
Hill JG, Cooper DL, Karadakov PB
Journal of Physical Chemistry A, 110(25), 7913, 2006