| 1 |
Binding energy of d(10) transition metals to alkenes by wave function theory and density functional theory
Averkiev BB, Zhao Y, Truhlar DG
Journal of Molecular Catalysis A-Chemical, 324(1-2), 80, 2010 |
| 2 |
Electrocatalytic hydrogenation of organic compounds using a nickel sacrificial anode
Santana DS, Melo GO, Lima MVF, Daniel JRR, Areias MCC, Navarro M
Journal of Electroanalytical Chemistry, 569(1), 71, 2004 |
| 3 |
Triplet ground state of 2,5-dimethylene five-member heterocycles
Janicki SZ, Petillo PA
Journal of Physical Chemistry A, 103(15), 2873, 1999 |
| 4 |
Two-state model of antiaromaticity: The low lying singlet states
Zilberg S, Haas Y
Journal of Physical Chemistry A, 102(52), 10843, 1998 |
| 5 |
Transient 1,1-dimethyl-1-germene, (CH3)(2)Ge = CH2. Gas-phase pyrolytic generation and EIMS, matrix isolation FTIR, and theoretical studies
Khabashesku VN, Kudin KN, Tamas J, Boganov SE, Margrave JL, Nefedov OM
Journal of the American Chemical Society, 120(20), 5005, 1998 |
| 6 |
Can the Low-Lying Electronic States of Benzenoid Hydrocarbons Be Described by the Semiempirical Valence-Bond Approach
Ma J, Li SH, Jiang YS
Journal of Physical Chemistry A, 101(26), 4770, 1997 |
| 7 |
Strength of Spin Coupling in High-Spin Organic-Molecules
Li SH, Ma J, Jiang YS
Journal of Physical Chemistry A, 101(30), 5567, 1997 |
| 8 |
Electron Correlation and Magnetism - A Simple Molecular-Orbital Approach for Predicting Ground-State Spins of Conjugated Hydrocarbons
Li SH, Ma J, Jiang YS
Journal of Physical Chemistry A, 101(30), 5587, 1997 |
| 9 |
Heterocyclic Pyridinium Betaines, a New Class of 2nd-Order Nonlinear-Optical Materials - Combined Theoretical and Experimental Investigation of First-Order Hyperpolarizability Through Ab-Initio, Indo/S, and Hyper-Rayleigh Scattering
Abe J, Shirai Y, Nemoto N, Miyata F, Nagase Y
Journal of Physical Chemistry B, 101(4), 576, 1997 |
| 10 |
Manipulation of Dipole-Moment and Hyperpolarizability Based on Heterocyclic Pyridinium Betaine Structures - Ab-Initio and Indo/S Mo Calculations
Abe J, Shirai Y, Nemoto N, Nagase Y
Journal of Physical Chemistry B, 101(10), 1910, 1997 |
