On the Electronic Structure ofmer,trans-[RuCl3(1H-indazole)2(NO)], a Hypothetical Metabolite of the Antitumor Drug Candidate KP1019: An Experimental and DFT Study

The Shrinking World of Innocent Ligands: Conventionaland Non-Conventional Redox-Active Ligands

(2012) Wolfgang Kaim   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Nitric Oxide: A Guardian for Vascular Grafts?

(2011) Achala de Mel et al.   CHEMICAL REVIEWS

Ruthenium nitrosyl complexes with 1,4,7-trithiacyclononane and 2,2′-bipyridine (bpy) or 2-phenylazopyridine (pap) coligands. Electronic structure and reactivity aspects

(2011) Prinaka De et al.   DALTON TRANSACTIONS

Naked Five-Coordinate FeIII(NO) Porphyrin Complexes: Vibrational and Reactivity Features

(2011) Francesco Lanucara et al.   INORGANIC CHEMISTRY

Electronic Structures and Spectroscopy of the Electron Transfer Series [Fe(NO)L2]z(z= 1+, 0, 1–, 2–,3–; L = Dithiolene)

(2011) Panida Surawatanawong et al.   INORGANIC CHEMISTRY

fac-/mer-[RuCl3(NO)(P–N)] (P–N=[o-(N,N-dimethylamino)phenyl]diphenylphosphine): Synthesis, characterization and DFT calculations

(2011) Juliana P. da Silva et al.   INORGANICA CHIMICA ACTA

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Widely Differing Photochemical Behavior in Related Octahedral {Ru-NO}6Compounds: Intramolecular Redox Isomerism of the Excited State Controlling the Photodelivery of NO

(2010) Ariel G. De Candia et al.   INORGANIC CHEMISTRY

Intracellular protein binding patterns of the anticancer ruthenium drugs KP1019 and KP1339

(2010) Petra Heffeter et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Relativistic Effects on Metal−Metal Bonding: Comparison of the Performance of ECP and Scalar DKH Description on the Picture of Metal−Metal Bonding in Re2Cl82−

(2010) Robert Ponec et al.   Journal of Chemical Theory and Computation

Electronic Structure of Selected {FeNO}7Complexes in Heme and Non-Heme Architectures: A Density Functional and Multireference ab Initio Study

(2010) Mariusz Radoń et al.   JOURNAL OF PHYSICAL CHEMISTRY B

DFT study of bis(picolinato-N,O)-copper(II) complex

(2010) Stanislava Šoralová et al.   POLYHEDRON

Design of Selective Neuronal Nitric Oxide Synthase Inhibitors for the Prevention and Treatment of Neurodegenerative Diseases

(2009) Richard B. Silverman   ACCOUNTS OF CHEMICAL RESEARCH

Domain Averaged Fermi Hole Analysis for Open-Shell Systems

(2009) Robert Ponec et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Local Structure of Nanocrystalline Ru1−xNixO2−δ Dioxide and Its Implications for Electrocatalytic Behavior—An XPS and XAS Study

(2009) V. Petrykin et al.   Journal of Physical Chemistry C

QTAIM study of transition metal complexes with cyclophosphazene-based multisite ligands I: Zinc(II) and nickel(II) complexes

(2009) Marián Gall et al.   POLYHEDRON

Synthesis and Reactivity of the Aquation Product of the Antitumor Complextrans-[RuIIICl4(indazole)2]−

(2008) Berta Cebrián-Losantos et al.   INORGANIC CHEMISTRY

Revised Basis Sets for the LANL Effective Core Potentials

(2008) Lindsay E. Roy et al.   Journal of Chemical Theory and Computation

Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes. I. Fe2(CO)9 and Co2(CO)8

(2008) Robert Ponec et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

{RuII(NO+)}3+-core complexes with 4-methyl-pyrimidine and ethyl-isonicotinate: Synthesis, X-ray structure, spectroscopy, and computational and NO-release studies upon UVA irradiation

(2008) Gabriella Tamasi et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Binding of CO, NO, and O2to Heme by Density Functional and Multireference ab Initio Calculations

(2008) Mariusz Radoń et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nitric oxide, apoptosis and macrophage polarization during tumor progression

(2008) Andreas Weigert et al.   NITRIC OXIDE-BIOLOGY AND CHEMISTRY

X-ray absorption spectroscopic characterization of a cytochrome P450 compound II derivative

(2008) M. Newcomb et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA