Santiago Álvarez
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Computer Science
Santiago Álvarez's Degrees
- PhD Computer Science University of Buenos Aires
- Masters Computer Science University of Buenos Aires
- Bachelors Computer Science University of Buenos Aires
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(Suggest an Edit or Addition)Santiago Álvarez's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Covalent radii revisited. (2008) (2564)
- A cartography of the van der Waals territories. (2013) (868)
- Shape maps and polyhedral interconversion paths in transition metal chemistry (2005) (709)
- Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes (1999) (664)
- The rich stereochemistry of eight-vertex polyhedra: a continuous shape measures study. (2005) (565)
- MAGNETIC COUPLING IN END-ON AZIDO-BRIDGED TRANSITION METAL COMPLEXES : A DENSITY FUNCTIONAL STUDY (1998) (540)
- About the calculation of exchange coupling constants in polynuclear transition metal complexes (2003) (402)
- Continuous symmetry maps and shape classification. The case of six-coordinated metal compounds (2002) (318)
- Structural Modeling and Magneto-Structural Correlations for Hydroxo-Bridged Copper(II) Binuclear Complexes. (1997) (313)
- Minimal distortion pathways in polyhedral rearrangements. (2004) (276)
- About the calculation of exchange coupling constants using density-functional theory: the role of the self-interaction error. (2005) (263)
- Distortions in octahedrally coordinated d0 transition metal oxides : A continuous symmetry measures approach (2006) (257)
- Exchange coupling in carboxylato-bridged dinuclear copper(II) compounds: a density functional study. (2001) (254)
- Polyhedral structures with an odd number of vertices: nine-coordinate metal compounds. (2008) (252)
- Dimerization and stacking in transition-metal bisdithiolenes and tetrathiolates (1985) (210)
- Coordinating ability of anions and solvents towards transition metals and lanthanides. (2011) (209)
- Dihydrogen contacts in alkanes are subtle but not faint (2011) (198)
- Shape and symmetry of heptacoordinate transition-metal complexes: structural trends. (2003) (179)
- Exchange coupling of transition-metal ions through hydrogen bonding: a theoretical investigation. (2002) (170)
- Can large magnetic anisotropy and high spin really coexist? (2008) (160)
- Choice of coordination number in d10 complexes of group 11 metals. (2004) (151)
- Spin Density Distribution in Transition Metal Complexes: Some Thoughts and Hints (2000) (151)
- Spin state behavior of iron(II)/dipyrazolylpyridine complexes. New insights from crystallographic and solution measurements (2015) (147)
- Structural and electronic effects on the exchange interactions in dinuclear bis(phenoxo)-bridged copper(II) complexes (2010) (145)
- BINUCLEAR AND POLYMERIC GOLD(I) COMPLEXES (1985) (141)
- Spin density distribution in transition metal complexes (2005) (138)
- Mapping the stereochemistry and symmetry of tetracoordinate transition-metal complexes. (2004) (137)
- Theoretical study of exchange coupling in 3d-Gd complexes: large magnetocaloric effect systems. (2012) (135)
- How to build molecules with large magnetic anisotropy. (2009) (131)
- Influence of the Peripheral Ligand Atoms on the Exchange Interaction in Oxalato-Bridged Nickel(II) Complexes: An Orbital Model. Crystal Structures and Magnetic Properties of (H(3)dien)(2)[Ni(2)(ox)(5)].12H(2)O and [Ni(2)(dien)(2)(H(2)O)(2)(ox)]Cl(2). (1996) (127)
- EXCHANGE COUPLING IN OXALATO-BRIDGED COPPER(II) BINUCLEAR COMPOUNDS : A DENSITY FUNCTIONAL STUDY (1998) (126)
- Magnetic coupling in end-to-end azido-bridged copper and nickel binuclear complexes: a theoretical study. (2000) (124)
- Shape and spin state in four-coordinate transition-metal complexes: the case of the d(6) configuration. (2006) (124)
- Distortion Pathways of Transition Metal Coordination Polyhedra Induced by Chelating Topology. (2015) (115)
- OXALATO-BRIDGED AND RELATED DINUCLEAR COPPER(II) COMPLEXES : THEORETICAL ANALYSIS OF THEIR STRUCTURES AND MAGNETIC COUPLING (1990) (112)
- Exchange coupling in halo-bridged dinuclear Cu(II) compounds: a density functional study. (2002) (111)
- The nature of intermolecular CuI...CuI interactions: a combined theoretical and structural database analysis. (2004) (108)
- Continuous symmetry measures of penta-coordinate molecules: Berry and non-Berry distortions of the trigonal bipyramid (2000) (108)
- Polyhedra in (inorganic) chemistry. (2005) (107)
- Is it possible to get high T(C) magnets with Prussian blue analogues? A theoretical prospect. (2005) (104)
- Continuous Shape Measures as a Stereochemical Tool in Organometallic Chemistry (2005) (102)
- Understanding the Nature of the CH···HC Interactions in Alkanes. (2013) (96)
- Importance of the X4 ring orbitals for the semiconducting, metallic, or superconducting properties of skutterudites MX3 and RM4X12 (1990) (96)
- From Widely Accepted Concepts in Coordination Chemistry to Inverted Ligand Fields. (2016) (94)
- Electronic structure and properties of Cu2O (1997) (90)
- Density functional study of magnetostructural correlations in cubane complexes containing the Cu4O4 core (2006) (90)
- Stereochemistry of compounds with coordination number ten. (2009) (86)
- Relationships between temperature, magnetic moment, and continuous symmetry measures in spin crossover complexes. (2003) (86)
- Magnetostructural correlations in polynuclear complexes: the Fe4 butterflies. (2006) (84)
- Magnetic structure of the large-spin Mn10 and Mn19 complexes: a theoretical complement to an experimental milestone. (2008) (83)
- Magnetic properties of cyano-bridged Ln3+-M3+ complexes. Part I: trinuclear complexes (Ln3+ = La, Ce, Pr, Nd, Sm; M3+ = FeLS, Co) with bpy as blocking ligand. (2005) (83)
- Stereochemistry and spin state in four-coordinate transition metal compounds. (2008) (78)
- Density functional study of the exchange coupling in distorted cubane complexes containing the Cu4O4 core (2001) (77)
- Ligand macrocycle structural effects on copper-dioxygen reactivity. (2000) (77)
- To Bend or Not To Bend: Dilemma of the Edge-Sharing Binuclear Square Planar Complexes of d8 Transition Metal Ions (1998) (76)
- Continuous chirality measures in transition metal chemistry. (2005) (71)
- Magnetism of cyano-bridged Ln3+-M3+ complexes. Part II: one-dimensional complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as blocking ligand. (2005) (69)
- Exchange interaction through a croconato bridge: synthesis, crystal structure, and magnetic properties of (.mu.-croconato)bis[{bis(2-pyridylcarbonyl)amido}copper(II)] trihydrate (1992) (69)
- Oxidation states, atomic charges and orbital populations in transition metal complexes (2009) (68)
- [Cu3(mu-S)2]3+ clusters supported by N-donor ligands: progress toward a synthetic model of the catalytic site of nitrous oxide reductase. (2005) (67)
- On the Bonding Nature of the M.cntdot. .cntdot. .cntdot.M Interactions in Dimers of Square-Planar Pt(II) and Rh(I) Complexes (1995) (67)
- A bonding quandary--or--a demonstration of the fact that scientists are not born with logic. (2009) (67)
- Theoretical study of the magnetic behavior of hexanuclear Cu(II) and Ni(II) polysiloxanolato complexes. (2003) (66)
- Theoretical study of the electrical behavior of one-dimensional metallophthalocyanines and related metallomacrocyclic compounds (1984) (63)
- Exchange coupling in cyano-bridged homodinuclear Cu(II) and Ni(II) complexes: synthesis, structure, magnetism, and density functional theoretical study. (2001) (63)
- Axial Bonding Capabilities of Square Planar d(8)-ML(4) Complexes. Theoretical Study and Structural Correlations. (1996) (58)
- Symmetry and topology determine the MoV-CN-MnII exchange interactions in high-spin molecules. (2005) (58)
- Synthesis, x-ray diffraction structure, magnetic properties, and MO analysis of a binuclear (.mu.-tetrathiooxalato)copper(II) complex, (AsPh4)2[(C3OS4)CuC2S4Cu(C3OS4)] (1987) (56)
- The trigonal prism in coordination chemistry. (2010) (55)
- Electronic Structure and Magnetic Behavior in Polynuclear Transition‐Metal Compounds (2003) (53)
- A common variant in DRD3 gene is associated with risperidone-induced extrapyramidal symptoms (2009) (52)
- Polyhedral structures with an odd number of vertices: nine-atom clusters and supramolecular architectures. (2008) (51)
- Structure and stability of the X3- systems (X = fluoride, chloride, bromide, iodide) and their interaction with cations (1988) (48)
- Pharmacogenetic predictors of angiotensin-converting enzyme inhibitor-induced cough: the role of ACE, ABO, and BDKRB2 genes (2011) (48)
- Symmetry operation measures (2008) (47)
- A New Class of (μ-η2:η2-Disulfido)dicopper Complexes: Synthesis, Characterization, and Disulfido Exchange (2004) (47)
- Structure-NMR correlations in halo(ligand)bis(dioximato)cobalt(III) complexes (1986) (46)
- Bonding and stereochemistry of three-coordinated transition metal compounds (1999) (45)
- Further Theoretical Evidence for the Exceptionally Strong Ferromagnetic Coupling in Oxo-Bridged Cu(II) Dinuclear Complexes (2002) (45)
- How high the spin? Allowed and forbidden spin states in transition-metal chemistry. (2006) (45)
- Theoretical search for new ferromagnetically coupled transition metal complexes (1998) (45)
- Theoretical study of the exchange coupling in copper( II ) binuclear compounds with oxamidate and related polyatomic bridging ligands (1999) (44)
- Reply to “Comment on ‘About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error’” [J. Chem. Phys. 123, 164110 (2005)] (2006) (42)
- A family of ferro- and antiferromagnetically coupled decametallic chromium(III) wheels. (2006) (42)
- Intuitive pharmacogenetics: spontaneous risperidone dosage is related to CYP2D6, CYP3A5 and ABCB1 genotypes (2010) (41)
- Edge‐Sharing Binuclear d8 Complexes with XR Bridges: Theoretical and Structural Database Study of their Molecular Conformation (1999) (39)
- Chain Conformation and Metal…Metal Contacts in Dimers and Stacks of d8‐ML4 Complexes: Electronic Effects (1997) (39)
- Interconversion of quadruply and quintuply bonded molybdenum complexes by reductive elimination and oxidative addition of dihydrogen. (2013) (39)
- Molecules and crystals with both icosahedral and cubic symmetry. (2008) (38)
- Bonding and structure in L4M2(.mu.-XRn)2 diamonds of tetrahedral d10 ions. Effect of substituents on the M- -M interaction (1992) (37)
- van der Waals radii of noble gases. (2014) (36)
- A novel bipyridine-based hexadentate tripodal framework with a strong preference for trigonal prismatic co-ordination geometries. (2010) (36)
- Coordinating ability of anions, solvents, amino acids, and gases towards alkaline and alkaline-earth elements, transition metals, and lanthanides. (2020) (36)
- Room-temperature synthesis and crystal, magnetic, and electronic structure of the first silver copper oxide. (2002) (35)
- Quantitative geometric descriptions of the belt iron atoms of the iron-molybdenum cofactor of nitrogenase and synthetic iron(II) model complexes. (2007) (35)
- Theoretical Study of the Magnetic Properties of an Mn12 Single-Molecule Magnet with a Loop Structure: The Role of the Next-Nearest Neighbor Interactions. (2007) (34)
- On the Existence of a Pyramidality Effect in d(8).d(8) Contacts. Theoretical Study and Structural Correlation. (1996) (33)
- Synthesis and study of trinuclear Pd(II) and Pt(II) complexes with 2-mercaptonicotinic acid (1999) (33)
- Early-late transition metal ferromagnetic coupling mediated by hydrogen bonding. (2002) (32)
- Crystal Orbital Displacement Analysis of Interactions in the Solid State. Application to the Study of Host-Guest Interactions in the Hofmann Clathrates (1994) (32)
- Density functional study of exchange coupling constants in single-molecule magnets: the Fe8 complex. (2005) (31)
- Dinuclear complexes of copper(II) derived from (1,3-propanediylbis(oxamato))cuprate(II): magneto-structural correlations (1991) (31)
- Quantitative chirality analysis of molecular subunits of bis(oxazoline)copper(II) complexes in relation to their enantioselective catalytic activity. (2003) (30)
- Calibrating the coordination chemistry tool chest: metrics of bi- and tridentate ligands. (2009) (30)
- Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 1. Synthesis, Structure, and Bonding of 30-Electron Complexes (2007) (29)
- Ab Initio Study of the Intermolecular Interactions in the Hofmann Clathrates (1995) (29)
- LIGAND ORIENTATION EFFECTS ON METAL-METAL, LIGAND-LIGAND AND METAL-LIGAND INTERACTIONS (1999) (28)
- A Theoretical Study of the Exchange Coupling in Hydroxo- and Alkoxo-Bridged Dinuclear Oxovanadium(IV) Compounds (2004) (28)
- Spin densities in a ferromagnetic bimetallic chain compound: polarized neutron diffraction and DFT calculations. (2002) (28)
- Through-ring bonding in edge-sharing dimers of square planar complexes (1994) (28)
- Evaluating transition state structures of vanadium-phosphatase protein complexes using shape analysis. (2015) (27)
- Chemistry: a panoply of arrows. (2012) (27)
- Electronic and structural effects of low-hapticity coordination of arene rings to transition metals (2014) (27)
- Theoretical study of exchange coupling constants in an Fe19 complex (2004) (27)
- Asymmetry and magnetism in bis(oximato)-bridged heterobimetallic compounds: a computational approach. (2000) (27)
- Experimental and theoretical studies on arene-bridged metal-metal-bonded dimolybdenum complexes. (2014) (27)
- Pyramidality and Metal-Metal Multiple Bonding: Structural Correlations and Theoretical Study (1993) (26)
- Six-fold oxygen-coordinated triplet (S = 1) palladium(II) moieties templated by tris(bipyridine)ruthenium(II) ions. (2007) (26)
- New organometallic cobaloximes containing an equatorial diphenylglyoximato(−1) ligand. Comparison between their properties and those of other B12 model compounds. Crystal structure of trans-[Co(dpgH)2(CH3)(pyridine)] (1991) (26)
- Hexakis(silyl)palladium(VI) or palladium(II with eta2-disilane ligands?. (2002) (25)
- Iron−Gold (or −Mercury) Carbide Clusters Derived from [Fe6C(CO)16]2-. X-ray Crystal Structures of (NEt4)[Fe6C{AuPPh3}(CO)16] and [Fe4C{AuPPh3}(CO)11(NO)] (1997) (25)
- Ligand association/dissociation paths and ill-defined coordination numbers. (2010) (25)
- Synthesis and structure of chloro(ligand)bis(diphenylglyoximato)cobalt(III) complexes (1987) (24)
- Continuous Symmetry Measures: A New Tool in Quantum Chemistry (2017) (23)
- Intermolecular interactions in group 14 hydrides: Beyond CH···HC contacts (2017) (23)
- Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order (2015) (22)
- Tailor-made strong exchange magnetic coupling through very long bridging ligands: theoretical predictions. (2003) (22)
- The structural diversity triggered by intermolecular interactions between Au(I)S2 groups: aurophilia and beyond. (2012) (22)
- The [M2(CO)8] Complexes of the Cobalt Group (2001) (22)
- Jahn-Teller distortions of six-coordinate CuII compounds: cis or trans? (2009) (21)
- Framework Bonding and Coordination Sphere Rearrangement in the M(2)X(2) Cores of Synthetic Analogues of Oxyhemocyanin and Related Cu and Pt Complexes. (1998) (21)
- Electronic structure determination of iron(II) phthalocyanine via magnetic susceptibility and Mössbauer measurements (1984) (21)
- Electronic band structure of the magnetic layered semiconductors MPS3 (M = Mn, Fe and Ni) (1996) (21)
- Through-ring bonding in edge sharing dimers of octahedral complexes. (2000) (21)
- Application of symmetry operation measures in structural inorganic chemistry. (2008) (20)
- C-N stretching force constants in cyano complexes: General trends for polycyano, mixed-ligand and cyano-bridged complexes (1984) (20)
- ARVCF single marker and haplotypic association with schizophrenia (2009) (20)
- The influence of equatorial bulky substituents on the properties of organometallic bis(dioximato)cobalt(III) compounds. Structural comparison between trans-[Co(dpgH)2(R)(L)] complexes [dpgH = diphenylglyoximato(−1)] and other B12 models (1992) (20)
- Continuous chirality analysis of hexacoordinated tris-chelated metal complexes (2001) (19)
- Lack of association between antipsychotic-induced extrapyramidal symptoms and polymorphisms in dopamine metabolism and transport genes (2010) (19)
- Theoretical study of the exchange coupling in a Ni12 single-molecule magnet. (2006) (19)
- Mercurophilic interactions: a theoretical study on the importance of ligands. (2017) (19)
- Reactivity of a Super-Electron-Rich Olefin Derived from Cyclam (2009) (19)
- Cr-Cr Quintuple Bonds: Ligand Topology and Interplay Between Metal-Metal and Metal-Ligand Bonding. (2015) (19)
- Mixed valency in binuclear cyano-bridged manganese bis(carbonyl) complexes and stereochemical control of their oxidation. A molecular orbital study (1993) (19)
- Chalcogen-chalcogen bonds in edge-sharing square-planar d8 complexes. Are they possible? (2004) (19)
- Electronic Structure of Host Lattices for Intercalation Compounds: SnS2, SnSe2, ZrS2, and TaS2 (1998) (18)
- Exchange Coupling in Metal Complexes of the Second Transition Series: A Theoretical Exploration (2003) (18)
- Theoretical determination of the exchange coupling constants of a single-molecule magnet Fe10 complex (2005) (18)
- Polyhedral interconversion coupled with proton transfer between an ammonium cation and the [Co(CO)4]- ion. (2006) (18)
- Dihydrogen intermolecular contacts in group 13 compounds: HH or EH (E = B, Al, Ga) interactions? (2017) (18)
- Effects of tris(pyrazolyl)borato ligand substituents on dioxygen activation and stabilization by copper compounds. (2006) (17)
- Theoretical clues to the mechanism of dioxygen formation at the oxygen-evolving complex of photosystem II. (2002) (17)
- Hoch oder niedrig? Zur Erlaubtheit von Spinzuständen in der Übergangsmetallchemie† (2006) (17)
- Pyramidality effect on rhodium(II)-Rh(II) single bonds (1993) (17)
- Distortion Pathways of Transition Metal Coordination Polyhedra Induced by Chelating Topology (2016) (17)
- Electrochemical behavior of copper complexes with substituted polypyridinic ligands: an experimental and theoretical study. (2008) (17)
- The electronic structure of barium gallium antimonide (Ba7Ga4Sb9): a compound seemingly probing the limits of the Zintl concept (1990) (17)
- Anionic trimetallic compounds containing FeEM skeletons (E = Zn, Cd, Hg; M = Fe, Mo, W). Crystal structure of [N(PPh3)2]2[(OC)4FeHgFe(CO)4] (1989) (17)
- Symmetry measures of the electron density (2010) (16)
- Host.cntdot..cntdot..cntdot.Guest Interactions in the Pyrrole and Aniline Hofmann Clathrates. A Theoretical Study (1995) (16)
- Reaction chemistry, NMR spectroscopy, and X-ray crystallography of [Fe2(μ-SiMe2)2(CO)4] and [Fe2(μ-SiMeCl)2(CO)4]. Electronic structure and bonding in Fe2E2 rings of [Fe2(μ-ER2)2(CO)4] binuclear complexes (E=C, Si, Ge, Sn, Pb) (2001) (16)
- Stereochemistry of complexes with double and triple metal-ligand bonds: a continuous shape measures analysis. (2014) (16)
- Square Fe2Au2 and triangular Fe2Au clusters: A reversible transformation. X-ray crystal structure of [Fe2Au2(CO)8(.mu.-dppm)] [dppm = bis(diphenylphosphino)methane] (1991) (16)
- The large range of chromium-chromium quadruple bond distances: structural and theoretical analysis (1990) (15)
- Continuous chirality measures of tetracoordinate bis(chelate) metal complexes (2003) (15)
- Molecular structure and isomerization in square-planar edge-sharing dinuclear complexes with alkynyl bridges (2002) (15)
- Nesting of fullerenes and Frank-Kasper polyhedra. (2006) (15)
- A novel hexanuclear mixed oxidation state Cu(II)(4)Cu(I)(2) cluster complex exhibiting weak ferromagnetic exchange. (2003) (15)
- Size and shape trump charge in interactions of oxovanadates with self-assembled interfaces: application of continuous shape measure analysis to the decavanadate anion (2016) (15)
- The fluxional behavior of monocoordinated diimines and azines (1987) (14)
- A functional variant provided further evidence for the association of ARVCF with schizophrenia (2010) (14)
- Distortions of π-coordinated arenes with anionic character. (2014) (14)
- Concurrent symmetries: the interplay between local and global molecular symmetries. (2011) (14)
- Bonding and solvation preferences of nickel complexes [Ni(S2PR2)2] (R=H, Me, OMe) according a natural bond orbital analysis (2006) (14)
- Strong Antiferromagnetic Coupling at Long Distance through a Ligand to Metal Charge Transfer Mechanism (2007) (14)
- Unsymmetrical Chelation of N-Thioether-Functionalized Bis(diphenylphosphino)amine-Type Ligands and Substituent Effects on the Nuclearity of Iron(II) Complexes: Structures, Magnetism, and Bonding. (2015) (14)
- A Continuous Chirality Analysis of Homoleptic Hexacoordinated Complexes (2001) (13)
- Xenobiotic metabolizing and transporter genes: gene-gene interactions in schizophrenia and related disorders. (2010) (13)
- Understanding the Interplay of Dispersion, Charge Transfer, and Electrostatics in Noncovalent Interactions: The Case of Bromine–Carbonyl Short Contacts (2020) (13)
- Zinc-Zinc Double Bonds: A Theoretical Study. (2017) (13)
- Structure and stability of tetraatomic bromine and ion, Br4 and Br42-, and their interaction with cations and transition metals (1987) (13)
- Axial substitution and bridge formation by the cyano group in bis(dimethylglyoximato)cobalt(III) complexes (1982) (13)
- X-X through-cage bonding in Cu, Ni, and Cr complexes with M3X2 cores (X=S, As). (2009) (13)
- Lack of association between schizophrenia and polymorphisms in dopamine metabolism and transport genes (2010) (12)
- Experimental and computational studies of the molybdenum-flanking arene interaction in quadruply bonded dimolybdenum complexes with terphenyl ligands. (2015) (12)
- From Widely Accepted Concepts in Coordination Chemistry to Inverted Ligand Fields (2016) (12)
- Exchange coupling in μ-aqua:μ-oxo vs. di-μ-hydroxo dinuclear Cu(II) compounds: a density functional study (2005) (12)
- Antiferromagnetism or delocalized spin in a Cu3S2 core? (2010) (12)
- On the existence of molecular palladium(VI) compounds: palladium hexafluoride. (2007) (12)
- “To Bend or not To Bend?” Both! The Planar and Bent Structures of[(Ph3P)4Rh2(μ-F)2] (2006) (11)
- Theoretical study of the magnetic behavior of ferric wheels. (2005) (11)
- Linkage isomerism in cyanoaquobis(dimethyl-glyoximato)cobalt(III) (1982) (11)
- Magnetic communication through functionalized nanotubes: a theoretical study. (2006) (11)
- Synthesis and structure of chloro(ligand)bis(glyoximato)cobalt(III) complexes: structural evidence of an electronic effect on the structure of the dimethylpyrazine ligand (1986) (11)
- Music of the elements (2008) (11)
- Electronic structure and properties of Cu 2 O (1997) (10)
- On books and chemical elements (2008) (10)
- Structural correlations and conformational preference in edge-sharing binuclear d8 complexes with XR2 bridges. A theoretical study. (2000) (10)
- ELECTRONIC STRUCTURE, CHEMICAL BONDING, AND JAHN-TELLER DISTORTIONS IN CDPS3 (1995) (10)
- Orbital Interactions in Chemistry. 2nd Edition. By Thomas A. Albright, Jeremy K. Burdett and Myung Hwan Whangbo. (2014) (10)
- Electronic Structure and Bonding in Tricoordinate Amido Complexes of Transition Metals (1999) (10)
- Electronic structure, bonding, and properties of copper phosphide, CuP2 (1992) (10)
- The nature of the AuI ... AuI Interactions between Cationic [AuL2]+ Complexes in the Solid State (2006) (10)
- Unprecedented trimetallic cluster with an in-plane .mu.3-hydride ligand. X-ray crystal structure of [Mo2(CO)8(.mu.-dppm)(.mu.3-H)(.mu.-AuPPh3)] (1992) (10)
- Continuous symmetry measures of irreducible representations: application to molecular orbitals. (2012) (10)
- The mechanism of electrical conductivity along polyhalide chains (1986) (10)
- Theoretical approach to the magnetostructural correlations in spin-Peierls compound CuGeO3 (2000) (9)
- (PPh4)[Mn3(CO)12(.mu.3-H)(.mu.-Hg{Mo(CO)3(.eta.5-C5H5)})]: The First Example of a Mercury-Containing Planar Triangulated Rhomboidal Metal Cluster (1994) (9)
- Theoretical evidence of persistent chirality in D3 homoleptic hexacoordinate complexes with monodentate ligands. (2003) (9)
- New perspectives on polyhedral molecules and their crystal structures (2010) (9)
- A New Titanium Alkoxide–Thiolate Complex as a Versatile Heterofunctional Metalloligand (2009) (9)
- Stereospinomers of pentacoordinate iron porphyrin complexes: the case of the [Fe(porphyrinato)(CN)]- anions. (2013) (9)
- Skutterudite vs. ReO3 structures for MX3 solids: electronic requirements‡ (1998) (9)
- Ligand effects and dimer formation in dicoordinated copper(I) complexes (2002) (9)
- Chemie: ein Köcher voller Pfeile (2012) (9)
- Electronic structure of a (cyclopentadienyl)tri-.mu.-oxoditechnetium polymer with a very short metal-metal bond (1991) (8)
- The Periodic-Table - A Universal Icon: Its Birth 150 Years Ago, and Its Popularization Through Literature Art and Music. (2019) (8)
- M(2)L(6) Complexes with Triple Mo-Mo and W-W Bonds: Molecular Topology and Inverted Pyramidality Effect. (1997) (8)
- Pseudosymmetry analysis of molecular orbitals (2013) (8)
- Pseudo-symmetry analysis of the d-block molecular orbitals in four-coordinate complexes. (2013) (8)
- The gyrobifastigium, not an uncommon shape in chemistry (2017) (7)
- Exchange coupling interactions in a Fe6 complex: A theoretical study using density functional theory (2006) (7)
- Theoretical Study of Host.cntdot..cntdot..cntdot.Guest Interactions in Clathrates with a Cd(CN)2 Host (1995) (7)
- A common variant of the ABO gene protects against hypertension in a Spanish population (2012) (7)
- NMR-UV-STRUCTURE RELATIONSHIPS IN BIS(DIMTHYLGLYOXIMATO)COBALT(III) COMPLEXES (1993) (7)
- Structure of the non-polar (101̄0) surfaces of AlN and α-SiC: a periodic Hartree-Fock study (1996) (7)
- Fluorocarbons modulate the coordination sphere of f-element complexes. (2014) (7)
- An Unsaturated Four-Coordinate Dimethyl Dimolybdenum Complex with a Molybdenum-Molybdenum Quadruple Bond. (2017) (7)
- Theoretical study of the electronic properties and exchange coupling in a Ni4 cubane like single-molecule magnet (2006) (7)
- An Fe11 complex showing single-molecule magnet behavior : Theoretical study using density functional methods and Monte Carlo simulations (2005) (7)
- Effect of the Substituents on the Nature and Strength of Lone-Pair–Carbonyl Interactions in Acyl Halides (2019) (7)
- Theoretical Study of Bonding and Electrical Conductivity in Compounds with the NbAs2 Structure (1992) (6)
- How icosahedral are icosahedral clusters (2010) (6)
- Chelating dialkoxide titanium complex: a versatile building block for the construction of heterometallic derivatives. (2007) (6)
- Symmetry constraints to the electrical conductivity of partially oxidized stacks of metal bis(dioximates) (1984) (6)
- Structure and bonding in late transition metal dinuclear complexes with local trigonal planar geometries (2002) (6)
- Formation of Sulfur−Sulfur Bonds in Copper Complexes (2004) (6)
- Self‐Assembly of Coordination Compounds: Design Principles (2012) (6)
- Exchange interactions in a Fe5 complex: A theoretical study using density functional theory (2008) (6)
- Theoretical Study of Bonding, Structure, and Vibrational Spectra of the [Fe2(CO)8]2- Anion and Its Derivatives† (2001) (6)
- Symmetry guidelines for the design of convergent syntheses. On narcissistic coupling and La Coupe du Roi (1992) (6)
- Electronic Structure, Bonding, and Electrical Properties of MoNiP8† (1996) (6)
- Importance of metal-metal interactions through the P-P bonds for the multidimensional electrical properties of MP4 (M=V, Cr, Mo) (1988) (5)
- Volume Editor’s Introduction (2013) (5)
- Synthesis and characterization of new di- and tri-nuclear cyano-bridged bis(dioximato)cobalt(III) complexes (1986) (5)
- Molecular structures of edge-sharing square-planar dinuclear complexes with unsaturated bridges. (2001) (5)
- C-N stretching force constants in cyano complexes (1982) (5)
- Improved synthesis of dicyanocobaloximes and the molecular and crystal structure of potassium dicyanobis(dimethylglyoximato)cobaltate(III) (1987) (5)
- Mössbauer studies on one-dimensional iron phthalocyanines (1983) (4)
- Electronic structure and properties of hexagonal wurtzite‐type SiC (1994) (4)
- Theoretical study of the guest⋯guest interactions of cobaltocene intercalated in metal sulfides (2000) (4)
- Vibrational spectra and normal coordinate analysis of two isotopomers of the thiosulfate ion (1985) (4)
- Zero- and mono-coordinate transition metals in crystal structures: A box full of surprises (2018) (4)
- Heterodox Bonding Effects between Transition Metal Atoms (1995) (4)
- Synthesis, characterization and study of the PtPt interaction in cis-[(aa)(bb)FCrNCPt(CN)3] (aa, bb=bidentate amine) (1986) (4)
- Magnetic exchange interactions in one-dimensional copper(II) compounds (1990) (4)
- Theoretical study of the exchange coupling interactions in a polyoxometalate Fe9W12 complex (2007) (4)
- INTERCALATION OF HALOGEN MOLECULES IN ALKALI FLUORIDE LATTICES : A THEORETICAL STUDY (1995) (4)
- A pyrimidine thiolate Rh(I) complex: structure, bonding and one-dimensional interactions in solid and in solution. (2005) (4)
- The transition from 4f to 5d elements from the structural point of view (2020) (3)
- COORDINATION MODES AND FLUXIONAL BEHAVIOR OF THE TRITHIOPENTALENE LIGANDS (TTP) IN AU(TTP)CL. A THEORETICAL STUDY (1993) (3)
- Experimental and Computational Studies on Quadruply Bonded Dimolybdenum Complexes with Terminal and Bridging Hydride Ligands. (2021) (3)
- Structural, NMR and Theoretical Study of Delocalization in Cobaloximes (1986) (3)
- Theoretical study of the intercalation of cobaltocene in metal chalcogenides (1998) (3)
- ELECTRONIC STRUCTURE AND BONDING IN THE HOPPE ANIONS FE2O56- AND CO2O44- (1997) (3)
- Supported σ‐Complexes of Li−C Bonds from Coordination of Monomeric Molecules of LiCH3, LiCH2CH3 and LiC6H5 to Mo≣Mo Bonds (2021) (3)
- Ligand Orientation Effects on Metal‐Metal Bonding (2008) (2)
- Continuous Shape Measures Study of the Coordination Spheres of Actinide Complexes – Part 1: Low Coordination Numbers (2021) (2)
- Delocalized Bonding in Li2X2 Rings: Probing the Limits of the Covalent and Ionic Bonding Models. (2020) (2)
- Cis and trans effects and NMR correlations in organometallic cobaloximes (1988) (2)
- Tetramethylammonium Cation: Directionality and Covalency in Its Interactions with Halide Ions (2022) (2)
- Binuclear nickel—cobalt cyano-bridged complexes showing long-range proton shielding (1984) (2)
- Marvellous molecular shapes (2019) (2)
- Binuclear complexes of Fe(III) and Cr(III) with bridging cyano ligand (1976) (2)
- Shapes of undecanuclear clusters and undecacoordinated metal complexes§ (2018) (2)
- Coordination of LiH Molecules to Mo≣Mo Bonds: Experimental and Computational Studies on Mo2LiH2, Mo2Li2H4, and Mo6Li9H18 Clusters (2021) (2)
- Anhydrous trans-(aniline)chlorobis(dimethylglyoximato)cobalt(III) (1996) (2)
- Das Periodensystem – eine universelle Ikone: seine Entstehung vor 150 Jahren und seine Verbreitung durch Literatur, Kunst und Musik (2019) (2)
- Ca0.95Nb3O6: Crystal and Electronic Structure (1993) (2)
- Substitution of chloride by nitrosyl ligand in a scorpionate ruthenium(III) compound: A theoretical study (2009) (2)
- Corrigendum: Coordinating Ability of Anions, Solvents, Amino Acids, and Gases towards Alkaline and Alkaline-Earth Elements, Transition Metals, and Lanthanides. (2020) (2)
- Polyhedral Structures with an Odd Number of Vertices: Nine‐atom Clusters and Supramolecular Architectures (2008) (2)
- Magneto-Structural Correlations in Trinuclear Cu(II) Complexes: A Density Functional Study (2003) (2)
- Structure and Stability of the X- 3 Systems (X: F, Cl, Br, I) and Their Interaction with Cations (1989) (2)
- Comparison of the Cr–Cr Quadruple and Quintuple Bonding Mechanisms (2015) (2)
- Synthesis and Structure of Chloro(ligand)bis(diphenylglyoximato)cobalt(III) Complexes. (1987) (1)
- Terminal Au−N and Au−O Units in Organometallic Frames (2022) (1)
- Fotógrafos de la química: documentación y arte (2018) (1)
- Correction to van der Waals Radii of Noble Gases (2014) (1)
- Electronic Structure, Chemical Bonding, and Jahn‐Teller Distortions in CdPS3. (1995) (1)
- Pyramidality effect on metal–metal single bonds (1997) (1)
- Importance of Metal-Metal Interactions Through the P-P Bonds for the Multidimensional Electrical Properties of MP4 (M: V, Cr, Mo) (1988) (1)
- Synthesis, X-Ray Diffraction Structure, Magnetic Properties, and MO Analysis of a Binuclear (μ-Tetrathiooxalato)copper(II) Complex, (AsPh4)2((C3OS4)CuC2S4Cu(C3OS4)). (1988) (1)
- Electronic Structure, Bonding, and Electrical Properties of MoNiP8. (1996) (1)
- Axial Bonding Capabilities of Square Planar d8‐ML4 Complexes. Theoretical Study and Structural Correlations. (1996) (1)
- Reply to Comment on “Distortions in Octahedrally Coordinated d0 Transition Metal Oxides: A Continuous Symmetry Measures Approach” (2007) (1)
- Structure and Stability of Br4 and Br2‐ 4 and Their Interaction with Cations and Transition Metals. (1988) (0)
- Ligands that enforce unnatural stereospinomers. (2008) (0)
- The coloring problem in Ba2Cu3VS6 (2000) (0)
- Electronic Structure, Bonding, and Properties of CuP2 (1992) (0)
- Design of a structural database for homoleptic transition metal complexes (2015) (0)
- Modulation der Koordinationssphäre von f-Element-Komplexen durch Fluorkohlenwasserstoffe (2014) (0)
- High-Spin Molecules (2005) (0)
- Molecules and Crystals with Both Icosahedral and Cubic Symmetry (2008) (0)
- Synthesis, Characterization and Study of the Pt-Pt Interaction in cis-((aa)(bb)FCr-NC-Pt(CN)3) (aa, bb = bidentate amine). (1987) (0)
- Theoretical and Structural Exploration of the Van der Waals Territory (2013) (0)
- A new class of (mu-eta2:eta2-disulfido)dicopper complexes: synthesis, characterization, and disulfido exchange. (2004) (0)
- Structure-NMR Correlations in Halo(ligand)bis(dioximato)cobalt(III) Complexes. (1986) (0)
- Synthesis and study of trinuclear Pd ( II ) and Pt ( II ) complexes with 2-mercaptonicotinic acid Crystal and molecular structure of [ Pd ( mercaptonicotinic acid ) Cl ] (1999) (0)
- Continuous Chirality Measures in Transition Metal Chemistry (2005) (0)
- From polygons to polyhedra through intermediate structures. A shape measures study of six-atom inorganic rings and clusters. (2021) (0)
- Spin state and stereochemistry in tetracoordinate complexes of dn transition metals (2005) (0)
- Binuclear Nickel-Cobalt Cyano-bridged Complexes Showing Long-range Proton Shielding. (1984) (0)
- ELECTRONIC STRUCTURE AND BONDING IN BANI2P4 (1997) (0)
- Coordination of E–C Bonds (E = Zn, Mg, Al) and the Zn–H Bonds of (C5Me5)ZnH and (C5Me5)ZnZnH across a Quadruply Bonded Dimolybdenum Dihydride Complex (2022) (0)
- Orbital Interactions in Chemistry. 2. Auflage. Von Thomas A. Albright, Jeremy K. Burdett und Myung Hwan Whangbo. (2014) (0)
- Nutzungsprofile von Internet und sozialen Medien der Generationen Baby Boomer, Generation X und Digital Natives: Ergebnisse aus Fokusgruppen (2019) (0)
- Combined use of structural databases, density functional calculations and continuous shape measures: application to four-coordinate transition metal compounds (2007) (0)
- ELECTRONIC BAND STRUCTURE AND MAGNETIC COUPLING IN THE CHAIN COMPOUNDS BA2MNX3 (X=S, SE,TE) (1995) (0)
- BINUCLEAR COMPLEXES OF IRON(III) AND CHROMIUM(III) WITH BRIDGING CYANO LIGAND (1976) (0)
- IUPAC in Brussels in 1921: A Historical Photo (2019) (0)
- Fluxional Behavior of Monocoordinated Diimines and Azines. (1987) (0)
- Taming a monomeric [Cu( h 6 -C 6 H 6 )] + complex with silylene †‡ EDGE ARTICLE (2018) (0)
- Electronic structure calculations and X-ray emission spectra of some metal phosphides (1992) (0)
- Improved Synthesis of Dicyanocobaloximes and the Molecular and Crystal Structure of Potassium Dicyanobis(dimethylglyoximato)cobaltate(III). (1988) (0)
- Fluorocarbons Modulate the Coordination Sphere of f‐Element Complexes (2014) (0)
- C3DT50599E 8617..8636 ++ (2013) (0)
- Importance of weak hydrogen bonding C-H--donor and C-H--anion interactions in governing the structural properties of organic donors BEDT-TTF and BEDO-TTF and their charge-transfer salts (1989) (0)
- LINKAGE ISOMERISM IN CYANOAQUABIS(DIMETHYLGLYOXIMATO)COBALT(III) (1982) (0)
- Comment on: Distortions in octahedrally coordinated d0 transition metal oxides : A continuous symmetry measures approach. Authors' reply (2007) (0)
- Shape and Symmetry Measures as Tools for the Solid State (2006) (0)
- Chalcogen—Chalcogen Bonds in Edge‐Sharing Square‐Planar d8 Complexes. Are They Possible? (2004) (0)
- The Electronic Structure of Ba7Ga4Sb9, a Compound Seemingly Probing the Limits of the Zintl Concept (1990) (0)
- Theoretical study of bonding and electrical properties of Ca0.95Nb3O6 (1992) (0)
- Synthesis, crystal structure, EPR, and DFT studies of an unusually distorted vanadium(II) complex. (2022) (0)
- Reply to 'entropic factors also contribute to the high melting points of polyhedral alkanes'. (2015) (0)
- Electronic Structure and Bonding in the Hoppe Anions (Fe2O5)6- and ( Co2O4)4-. (1997) (0)
- Diamminebis(dimethylglyoximato)cobalt(III) tetracyanonickelate(II) hexahydrate, 2C8H20CoN6O4+.C4N4Ni2−.6H2O (1983) (0)
- Existence of Molecular Palladium(VI) Compounds: Palladium Hexafluoride. (2007) (0)
- Tetrahedral d0 and d10 transition metal ions sharing edges in the solid state: electronic structure and bonding (1999) (0)
- Exchange coupling in mu-aqua:mu-oxo vs. di-mu-hydroxo dinuclear Cu(II) compounds: a density functional study. (2005) (0)
- CCDC 295811: Experimental Crystal Structure Determination (2006) (0)
- ELECTRONIC-STRUCTURE OF A [TC2(MU-O)3CP]N POLYMER WITH A VERY SHORT METAL-METAL BOND (1991) (0)
- Correction to Unsymmetrical Chelation of N-Thioether-Functionalized Bis(diphenylphosphino)amine-Type Ligands and Substituent Effects on the Nuclearity of Iron(II) Complexes: Structures, Magnetism, and Bonding. (2016) (0)
- General quadratic force field of the sulfate ion and the relationships between different force fields in tetrahedral molecules (1984) (0)
- CCDC 1449191: Experimental Crystal Structure Determination (2017) (0)
- Synthesis and Structure of Chloro(ligand)bis(glyoximato)cobalt(III) Complexes: Structural Evidence of an Electronic Effect on the Structure of the Dimethylpyrazine Ligand. (1987) (0)
- CCDC 295810: Experimental Crystal Structure Determination (2006) (0)
- Dimerization and Stacking in Transition-Metal Bisdithiolenes and Tetrathiolates (Untersuchungen struktureller, chemischer und elektrischer Eigenschaften einer Vielzahl von Fe-, Co-, Pd-, Pt-, Ni-, Cu- und Au-bisdithiolenen und -tetrat (1986) (0)
- Electronic structure and bonding in BaNi 2 P 4 (2014) (0)
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What Schools Are Affiliated With Santiago Álvarez?
Santiago Álvarez is affiliated with the following schools:
