Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences
AD Bochevarov, E Harder, TF Hughes… - … Journal of Quantum …, 2013 - Wiley Online Library
Jaguar is an ab initio quantum chemical program that specializes in fast electronic structure
predictions for molecular systems of medium and large size. Jaguar focuses on …
predictions for molecular systems of medium and large size. Jaguar focuses on …
The bridging azido ligand as a central “player” in high-nuclearity 3d-metal cluster chemistry
A Escuer, J Esteban, SP Perlepes… - Coordination Chemistry …, 2014 - Elsevier
The chemistry of the azido-bridged coordination clusters continues to attract the intense
interest of synthetic inorganic chemists and scientists working in the interdisciplinary field of …
interest of synthetic inorganic chemists and scientists working in the interdisciplinary field of …
Developing novel zinc (ii) and copper (ii) Schiff base complexes: combined experimental and theoretical investigation on their DNA/protein binding efficacy and …
M Das, S Mukherjee, B Koley, I Choudhuri… - New Journal of …, 2020 - pubs.rsc.org
Two new metal complexes, namely,[Zn2 (LH) 2 (N3) 4](1) and [Cu (L)(N3)](2), have been
derived from a Schiff base ligand,(E)-2-(((2-(piperidine-2-yl) ethyl) imino) methyl) phenol …
derived from a Schiff base ligand,(E)-2-(((2-(piperidine-2-yl) ethyl) imino) methyl) phenol …
Gadolinium(III) and dysprosium(III) complexes with a Schiff base bis(N-salicylidene)-3-oxapentane-1,5-diamine: synthesis, characterization, antioxidation, and DNA …
C Chen, J Zhang, Y Zhang, Z Yang, H Wu… - Journal of …, 2015 - Taylor & Francis
A pentadentate Schiff base bis (N-salicylidene)-3-oxapentane-1, 5-diamine (H2L) and its
lanthanide (III) complexes,[GdL (NO3)(DMF)(H2O)](1) and [Dy2L2 (NO3) 2]· 2H2O (2), have …
lanthanide (III) complexes,[GdL (NO3)(DMF)(H2O)](1) and [Dy2L2 (NO3) 2]· 2H2O (2), have …
Heterobridged dinuclear, tetranuclear, dinuclear-based 1-D, and heptanuclear-based 1-D complexes of copper (II) derived from a dinucleating ligand: Syntheses …
The work in this paper presents syntheses, characterization, crystal structures, variable-
temperature/field magnetic properties, catecholase activity, and electrospray ionization mass …
temperature/field magnetic properties, catecholase activity, and electrospray ionization mass …
What Controls the Magnetic Interaction in bis‐μ‐Alkoxo MnIII Dimers? A Combined Experimental and Theoretical Exploration
N Berg, T Rajeshkumar, SM Taylor… - … A European Journal, 2012 - Wiley Online Library
The synthesis and magnetic characterisation of a series of bis‐μ‐alkoxide bridged MnIII
dinuclear complexes of general formula [MnIII2 (μ‐OR) 2 (biphen) 2 (ROH) x (L) y](where R …
dinuclear complexes of general formula [MnIII2 (μ‐OR) 2 (biphen) 2 (ROH) x (L) y](where R …
Synthesis, structures, and magnetism of copper (II) and manganese (II) coordination polymers with azide and pyridylbenzoates
XM Zhang, YQ Wang, Y Song, EQ Gao - Inorganic Chemistry, 2011 - ACS Publications
Three transition-metal coordination polymers with azide and/or carboxylate bridges have
been synthesized from 4-(3-pyridyl) benzoic acid (4, 3-Hpybz) and 4-(4-pyridyl) benzoic acid …
been synthesized from 4-(3-pyridyl) benzoic acid (4, 3-Hpybz) and 4-(4-pyridyl) benzoic acid …
Heterodinuclear Cu–Gd (3d-4f) complex with di-compartmental Schiff base ligand in biological activity: Synthesis, crystal structure, catecholase activity and DNA & …
Abstract A dinuclear Cu II-Gd III Schiff base complex (a di-compartmental Schiff base ligand
derived from o-vanillin) nominated as: 1, 3-propanediyl-bis (2-iminomethylene-6-methoxy …
derived from o-vanillin) nominated as: 1, 3-propanediyl-bis (2-iminomethylene-6-methoxy …
Cu II–azide polynuclear complexes of Cu 4 building clusters with Schiff-base co-ligands: synthesis, structures, magnetic behavior and DFT studies
S Mukherjee, PS Mukherjee - Dalton Transactions, 2013 - pubs.rsc.org
Three new copper–azido complexes [Cu4 (N3) 8 (L1) 2] n (1),[Cu4 (N3) 6 (L2) 2 (H2O) 2](2),
and [Cu4 (N3) 6 (L3) 2] n (3)[L1 is the imine resulting from the condensation of pyridine-2 …
and [Cu4 (N3) 6 (L3) 2] n (3)[L1 is the imine resulting from the condensation of pyridine-2 …
A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel (ii)–cadmium (ii) complexes with N 2 O 4-donor …
Two new hetero-tetranuclear nickel (II)/cadmium (II) complexes, a cubane [(CH3CO2) 2Ni2
(L1) 2Cd2 (NCS) 2](1) and a linear tetramer [(DMSO) 2NiL2Cd (NCS)(μ1, 3-SCN) Ni …
(L1) 2Cd2 (NCS) 2](1) and a linear tetramer [(DMSO) 2NiL2Cd (NCS)(μ1, 3-SCN) Ni …