| 1 |
Electronic structure, ionization potential, and electron affinity of the enzyme cofactor (6R)-5,6,7,8-tetrahydrobiopterin in the gas phase, solution, and protein environments
Gogonea V, Shy JM, Biswas PK
Journal of Physical Chemistry B, 110(45), 22861, 2006 |
| 2 |
A quantum mechanical-Poisson-Boltzmann equation approach for studying charge flow between ions and a dielectric continuum
Gogonea V, Merz KM
Journal of Chemical Physics, 112(7), 3227, 2000 |
| 3 |
Quantum mechanical/quantum mechanical methods. I. A divide and conquer strategy for solving the Schrodinger equation for large molecular systems using a composite density functional-semiempirical Hamiltonian
Gogonea V, Westerhoff LM, Merz KM
Journal of Chemical Physics, 113(14), 5604, 2000 |
| 4 |
Charge flow between ions and a dielectric continuum. 2. Variational method for distributing charge into the dielectric
Gogonea V, Merz KM
Journal of Physical Chemistry B, 104(9), 2117, 2000 |
| 5 |
Fully quantum mechanical description of proteins in solution. Combining linear scaling quantum mechanical methodologies with the Poisson-Boltzmann equation
Gogonea V, Merz KM
Journal of Physical Chemistry A, 103(26), 5171, 1999 |
