Citadel

Replacing Nauticast AIS to Comnav Voyager X3 AIS

The aromatic pathways of porphins, chlorins and bacteriochlorins

Aromatic pathways in thieno-bridged porphyrins: understanding the influence of the direction of the thiophene ring on the aromatic character

Computational Studies of the Metal-Binding Site of the Wild-Type and the H46R Mutant of the Copper, Zinc Superoxide Dismutase

Ab initio determination of the induced ring current in aromatic molecules

Interpretation of the electronic absorption spectrum of free-base porphin using time-dependent density-functional theory

Insights into Magnetically Induced Current Pathways and Optical Properties of Isophlorins

C72: gaudiene, a hollow and aromatic all-carbon molecule

Stairway to the Conical Intersection:  A Computational Study of the Retinal Isomerization

Coupled-cluster calculations of spin-rotation constants

A density-functional-theory study of bacteriochlorophyll b

An efficient algorithm to calculate three-electron integrals for Gaussian-type orbitals using numerical integration

Spin and charge distribution in iron porphyrin models: A coupled cluster and density-functional study

Coupled-cluster and density functional theory studies of the electronic 0–0 transitions of the DNA bases

Magnetic-Shielding Calculations on Al 42- and Analogues. A New Family of Aromatic Molecules?

The Aromatic Character of Magnesium Porphyrins

Construction of the two-electron contribution to the Fock matrix by numerical integration

Ab Initio Study of Nuclear Magnetic Shieldings and Ultraviolet Spectra for Hypothiocyanite and Its Isomers. The Molecular Structure of Hypothiocyanite

Density-Functional-Theory Studies of the Infrared Spectra of Titanium Carbide Nanocrystals