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 …
Strategies to quench quantum tunneling of magnetization in lanthanide single molecule magnets
Enhancing blocking temperature (TB) is one of the holy grails in Single Molecule Magnets
(SMMs), as any future potential application in this class of molecules is directly correlated to …
(SMMs), as any future potential application in this class of molecules is directly correlated to …
Modelling spin Hamiltonian parameters of molecular nanomagnets
T Gupta, G Rajaraman - Chemical Communications, 2016 - pubs.rsc.org
Molecular nanomagnets encompass a wide range of coordination complexes possessing
several potential applications. A formidable challenge in realizing these potential …
several potential applications. A formidable challenge in realizing these potential …
Azide chemistry–an inorganic perspective, Part I metal azides: overview, general trends and recent developments
WP Fehlhammer, W Beck - Zeitschrift für anorganische und …, 2013 - Wiley Online Library
Abstract With Sharpless' and Meldal's discovery of the immensely supportive effect that
metal catalysis has on Huisgen's classical 1, 3‐dipolar cycloaddition, azides (RN3)–long …
metal catalysis has on Huisgen's classical 1, 3‐dipolar cycloaddition, azides (RN3)–long …
Synthesis, characterization and crystal structures of nickel (II) complexes derived from Schiff bases with antimicrobial activity
XY Qiu, SJ Liu - Polyhedron, 2024 - Elsevier
Two new acetate-bridged trinuclear nickel (II) complexes,[Ni 3 (L 1) 2 (NCS) 2 (CH 3 COO) 2
(CH 3 OH) 2](1),[Ni 3 (L 2) 2 (NCS) 2 (CH 3 COO) 2 (CH 3 OH)(OH 2)]· H 2 O (2), and two …
(CH 3 OH) 2](1),[Ni 3 (L 2) 2 (NCS) 2 (CH 3 COO) 2 (CH 3 OH)(OH 2)]· H 2 O (2), and two …
A rare phenoxido/acetato/azido bridged trinuclear and an unprecedented phenoxido/azido bridged one-dimensional polynuclear nickel (II) complexes: synthesis …
R Biswas, S Mukherjee, P Kar, A Ghosh - Inorganic Chemistry, 2012 - ACS Publications
The reaction of a tridentate Schiff base ligand HL (2-[(3-dimethylaminopropylimino)-methyl]-
phenol) with Ni (II) acetate or perchlorate salts in the presence of azide as coligand has led …
phenol) with Ni (II) acetate or perchlorate salts in the presence of azide as coligand has led …
Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel (ii) complexes with {N 3 O} donor Schiff base ligands
Two new doubly μ1, 1-N3 bridged (1 and 3) and six new doubly μ1, 1-NCO bridged NiII
complexes (2, 4–8) with six different N3O donor Schiff base ligands have been synthesized …
complexes (2, 4–8) with six different N3O donor Schiff base ligands have been synthesized …
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 …
Structure and magnetic behavior of unpredictable EE-azide bridged tetranuclear Mn (II) complex with ONO-donor hydrazone ligand and its transformation to dinuclear …
The reaction of manganese (II) chloride tetrahydrate with sodium azide and ONO-donor
hydrazone ligand,(H 2 L=(E)-3-hydroxy-N′-((Z)-4-hydroxy-4-phenylbut-3-en-2-ylidene)-2 …
hydrazone ligand,(H 2 L=(E)-3-hydroxy-N′-((Z)-4-hydroxy-4-phenylbut-3-en-2-ylidene)-2 …
A New Family of Ni4 and Ni6 Aggregates from the Self-Assembly of [Ni2] Building Units: Role of Carboxylate and Carbonate Bridges
Carboxylato (R= tBu and Et) and carbonato bridges have been utilized for nickel (II)-based
aggregates [Ni4 (μ-H2L) 2 (μ3-OH) 2 (μ1, 3-O2CBut) 2](NO3) 2· H2O· 2DMF (1· H2O …
aggregates [Ni4 (μ-H2L) 2 (μ3-OH) 2 (μ1, 3-O2CBut) 2](NO3) 2· H2O· 2DMF (1· H2O …