The influence of benzene rings on aromatic pathways in the porphyrins

Multiconfigurational Self-Consistent Field Calculations of the Magnetically Induced Current Density Using Gauge-Including Atomic Orbitals

(2013) Shubhrodeep Pathak et al.   Journal of Chemical Theory and Computation

Current-density functional theory study of the H2 molecule evolving under a strong ultrashort magnetic field

(2012) Vikas   EUROPEAN PHYSICAL JOURNAL D

Current-density functional study of the HeH+molecular ion under a strong ultrashort magnetic field

(2012) Vikas   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Aromatic Pathways of Porphins, Chlorins, and Bacteriochlorins

(2012) Heike Fliegl et al.   JOURNAL OF ORGANIC CHEMISTRY

Computational studies of photophysical properties of porphin, tetraphenylporphyrin and tetrabenzoporphyrin

(2012) Rashid R. Valiev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base

(2012) Tomohiro Higashino et al.   Chemical Science

Calculation of spin-current densities using gauge-including atomic orbitals

(2011) Stefan Taubert et al.   JOURNAL OF CHEMICAL PHYSICS

He 2++ molecular ion in a strong time-dependent magnetic field: A current-density functional study

(2011) Vikas   JOURNAL OF COMPUTATIONAL CHEMISTRY

Aromatic pathways in mono- and bisphosphorous singly Möbius twisted [28] and [30]hexaphyrins

(2011) Heike Fliegl et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The gauge including magnetically induced current method

(2011) Heike Fliegl et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Aromatic Pathways in Twisted Hexaphyrins

(2010) Heike Fliegl et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Design and Color Response of Colorimetric Multilumophore Oxygen Sensors

(2009) Rachel C. Evans et al.   ACS Applied Materials & Interfaces

Magnetically Induced Current Densities in Aromatic, Antiaromatic, Homoaromatic, and Nonaromatic Hydrocarbons

(2009) Heike Fliegl et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: a PCM/TD-DFT study

(2009) Roberto Improta et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

PlanarMesoPentafluorophenyl Core Modified Isophlorins

(2008) J. Sreedhar Reddy et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DFT/TD-DFT molecular design of porphyrin analogues for use in dye-sensitized solar cells

(2008) Mannix P. Balanay et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS