Abhik Ghosh
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Indian chemist
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Abhik Ghoshchemistry Degrees
Chemistry
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Organic Chemistry
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Chemistry
Abhik Ghosh's Degrees
- Masters Chemistry University of Calcutta
- Bachelors Chemistry University of Calcutta
Why Is Abhik Ghosh Influential?
(Suggest an Edit or Addition)According to Wikipedia, Abhik Ghosh is an Indian inorganic chemist and materials scientist and a professor of chemistry at UiT – The Arctic University of Norway in Tromsø, Norway. Early life and education Abhik Ghosh was born in Kolkata, West Bengal, India, in 1964. He attended St. Lawrence High School and South Point High School . As a child, he learned Sanskrit from his grandmother Ila Ghosh , a language he still speaks and reads fluently.
Abhik Ghosh's Published Works
Number of citations in a given year to any of this author's works
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
- Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of Co(III)(diiminato)(NPh). (2008) (278)
- Electronic Structure of Corrole Derivatives: Insights from Molecular Structures, Spectroscopy, Electrochemistry, and Quantum Chemical Calculations. (2017) (204)
- Catalytic generation of N2O3 by the concerted nitrite reductase and anhydrase activity of hemoglobin. (2007) (199)
- Electronic absorption, resonance Raman, and electrochemical studies of planar and saddled copper(III) meso-triarylcorroles. Highly substituent-sensitive Soret bands as a distinctive feature of high-valent transition metal corroles. (2002) (191)
- DFT calculations on the spin-crossover complex Fe(salen)(NO): a quest for the best functional. (2007) (156)
- Transition metal spin state energetics and noninnocent systems: challenges for DFT in the bioinorganic arena (2006) (140)
- Electronic Structure of Gallium, Copper, and Nickel Complexes of Corrole. High-Valent Transition Metal Centers versus Noninnocent Ligands (2000) (137)
- The structural chemistry of metallocorroles: combined X-ray crystallography and quantum chemistry studies afford unique insights. (2012) (133)
- High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report. (2003) (124)
- A perspective of one-pot pyrrole-aldehyde condensations as versatile self-assembly processes. (2004) (116)
- First-Principles Quantum Chemical Studies of Porphyrins (1998) (114)
- Do Nonplanar Porphyrins Have Red-Shifted Electronic Spectra? A DFT/SCI Study and Reinvestigation of a Recent Proposal (2000) (111)
- Do nonplanar distortions of porphyrins bring about strongly red-shifted electronic spectra? Controversy, consensus, new developments, and relevance to chelatases. (2002) (102)
- Electrochemical and Electronic Absorption Spectroscopic Studies of Substituent Effects in Iron(IV) and Manganese(IV) Corroles. Do the Compounds Feature High-Valent Metal Centers or Noninnocent Corrole Ligands? Implications for Peroxidase Compound I and II Intermediates (2001) (101)
- Electronic effects of peripheral substituents in porphyrins: x-ray photoelectron spectroscopy and ab initio self-consistent field calculations (1992) (100)
- Synthesis and molecular structure of gold triarylcorroles. (2011) (92)
- Electronic Structure of Trigonal-Planar Transition-Metal-Imido Complexes: Spin-State Energetics, Spin-Density Profiles, and the Remarkable Performance of the OLYP Functional. (2007) (91)
- Electron correlation in tetrapyrroles. Ab initio calculations on porphyrin and the tautomers of chlorin (1993) (91)
- Copper corroles are inherently saddled. (2009) (83)
- Substituent Effects in Porphyrazines and Phthalocyanines (1994) (81)
- Metalloporphyrin-NO bonding: building bridges with organometallic chemistry. (2005) (81)
- Substituent Effects on Valence Ionization Potentials of Free Base Porphyrins: A Local Density Functional Study (1995) (73)
- Ligand Noninnocence in Coinage Metal Corroles: A Silver Knife-Edge. (2015) (73)
- Copper beta-Octakis(trifluoromethyl)corroles: new paradigms for ligand substituent effects in transition metal complexes. (2008) (73)
- Gold Tris(carboxyphenyl)corroles as Multifunctional Materials: Room Temperature Near-IR Phosphorescence and Applications to Photodynamic Therapy and Dye-Sensitized Solar Cells. (2016) (73)
- Electrochemistry of Nickel and Copper β-Octahalogeno-meso-tetraarylporphyrins. Evidence for Important Role Played by Saddling-Induced Metal(dx2-y2)−Porphyrin(“a2u”) Orbital Interactions (2001) (71)
- Nonplanar, noninnocent, and chiral: a strongly saddled metallocorrole. (2010) (69)
- High-valent transition metal centers and noninnocent ligands in metalloporphyrins and related molecules: a broad overview based on quantum chemical calculations (2001) (68)
- The Smallest Biomolecules : Diatomics and their Interactions with Heme Proteins (2008) (68)
- Not innocent: verdict from ab initio multiconfigurational second-order perturbation theory on the electronic structure of chloroiron corrole. (2008) (66)
- Calibration of DFT Functionals for the Prediction of Fe Mössbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove Essential. (2011) (63)
- Oxidative metalation as a route to size-mismatched macrocyclic complexes: osmium corroles. (2014) (58)
- Mechanism of Cobalt-Porphyrin–Catalyzed Aziridination (2011) (57)
- High-valent transition metal centers versus noninnocent ligands in metallocorroles: insights from electrochemistry and implications for high-valent heme protein intermediates. (2002) (56)
- Electronic structure and FeNO conformation of nonheme iron-thiolate-NO complexes: an experimental and DFT study. (2007) (54)
- Metal-Ligand Misfits: Facile Access to Rhenium-Oxo Corroles by Oxidative Metalation. (2016) (54)
- Seven Clues to Ligand Noninnocence: The Metallocorrole Paradigm. (2019) (51)
- A First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso‐Triarylcorroles Exhibit Hyper Spectra (2011) (51)
- Molecular Structures, Tautomerism, and Carbon Nucleophilicity of Free-Base Inverted Porphyrins and Carbaporphyrins: A Density Functional Theoretical Study (1998) (49)
- STRUCTURE AND STABILITY OF CIS-PORPHYRIN (1995) (49)
- "True" iron(V) and iron(VI) porphyrins: a first theoretical exploration. (2002) (48)
- Electronic Absorption and Resonance Raman Signatures of Hyperporphyrins and Nonplanar Porphyrins (2003) (47)
- A Metallocorrole with Orthogonal Pyrrole Rings (2011) (47)
- Density functional theory calculations on Mössbauer parameters of nonheme iron nitrosyls. (2009) (47)
- Spectroelectrochemical and ESR studies of highly substituted copper corroles (2004) (47)
- Molecular structures and electron distributions of higher-valent iron and manganese porphyrins: Density functional theory calculations and some preliminary open-shell coupled-cluster results (2001) (47)
- Theoretical evidence favoring true iron(V)-oxo corrole and corrolazine intermediates. (2006) (46)
- A First-Principles Quantum Chemical Analysis of the Factors Controlling Ruffling Deformations of Porphyrins: Insights from the Molecular Structures and Potential Energy Surfaces of Silicon, Phosphorus, Germanium, and Arsenic Porphyrins and of a Peroxidase Compound I Model (1999) (46)
- Electronic Distinction between Porphyrins and Tetraazaporphyrins. Insights from X-Ray Photoelectron Spectra of Free Base Porphyrin, Porphyrazine, and Phthalocyanine Ligands (1994) (44)
- DETERMINANTS OF THE VINYL STRETCHING FREQUENCY IN PROTOPORPHYRINS. IMPLICATIONS FOR COFACTOR-PROTEIN INTERACTIONS IN HEME PROTEINS (1995) (44)
- Symmetry-breaking phenomena in metalloporphyrin pi-cation radicals. (2002) (44)
- Density Functional Theory Based Configuration Interaction Calculations on the Electronic Spectra of Free-Base Porphyrin, Chlorin, Bacteriochlorin, and cis- and trans-Isobacteriochlorin (2000) (44)
- Ab initio multiconfiguration reference perturbation theory calculations on the energetics of low-energy spin states of iron(III) porphyrins (2003) (43)
- Electronic Structure of High‐Spin Iron(IV) Complexes (2004) (43)
- Hemoglobin as a nitrite anhydrase: modeling methemoglobin-mediated N2O3 formation. (2011) (43)
- Osmium-nitrido corroles as NIR indicators for oxygen sensors and triplet sensitizers for organic upconversion and singlet oxygen generation (2016) (42)
- A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems (2012) (42)
- Molecular structure of a gold β-octakis(trifluoromethyl)-meso-triarylcorrole: an 85° difference in saddling dihedral relative to copper (2012) (40)
- Just how good is DFT? (2006) (40)
- Spin-state energetics and spin-crossover behavior of pseudotetrahedral cobalt(III)-imido complexes. The role of the tripodal supporting ligand. (2007) (39)
- Corrole as a binucleating ligand: preparation, molecular structure and density functional theory study of diboron corroles. (2008) (38)
- Capturing the spin state diversity of iron(III)-aryl porphyrins: OLYP is better than TPSSh. (2011) (38)
- Density functional theoretical study of oxo(porphyrinato)iron(IV) complexes, models of peroxidase compounds I and II (1994) (38)
- Cobalt- and Rhodium-Corrole-Triphenylphosphine Complexes Revisited: The Question of a Noninnocent Corrole. (2017) (37)
- Theoretical Studies of Low-Spin Six-Coordinate Iron(III) Porphyrins Relevant to Cytochromes b: Variable Electronic Configurations, Ligand Noninnocence, and Macrocycle Ruffling (1999) (36)
- N-Confused Porphyrins and Singlet Carbenes: Is There a Connection?† (1995) (36)
- Cryptic noninnocence: FeNO corroles in a new light. (2015) (35)
- Molecular structures of free-base corroles: nonplanarity, chirality, and enantiomerization. (2015) (34)
- Substituent effects on metallocorrole spectra: insights from chromium-oxo and molybdenum-oxo triarylcorroles (2011) (34)
- Broken-symmetry DFT spin densities of iron nitrosyls, including Roussin's red and black salts: striking differences between pure and hybrid functionals. (2009) (34)
- Reductive demetalation of copper corroles: first simple route to free-base β-octabromocorroles (2008) (33)
- Low-energy states of manganese-oxo corrole and corrolazine: multiconfiguration reference ab initio calculations. (2012) (33)
- Ligand Noninnocence in Iron Corroles: Insights from Optical and X-ray Absorption Spectroscopies and Electrochemical Redox Potentials. (2017) (33)
- The ultraviolet photoelectron spectrum of free-base porphyrin revisited. The performance of local density functional theory (1993) (32)
- Molecular Structures and Energetics of Corrole Isomers: A Comprehensive Local Density Functional Theoretical Study (1997) (32)
- Understanding the unusually straight: a search for MO insights into linear {FeNO}(7) units. (2010) (30)
- Bonding in Low-Coordinate Environments: Electronic Structure of Pseudotetrahedral Iron-Imido Complexes. (2007) (30)
- Theoretical Comparative Study of Free Base Porphyrin, Chlorin, Bacteriochlorin, and Isobacteriochlorin: Evaluation of the Potential Roles of ab Initio Hartree−Fock and Density Functional Theories in Hydroporphyrin Chemistry (1997) (30)
- Stable eight-coordinate iron(III/II) complexes. (2010) (30)
- Electronic Structure of Cobalt-Corrole-Pyridine Complexes: Noninnocent Five-Coordinate Co(II) Corrole-Radical States. (2017) (30)
- Resonance Raman spectroscopy and density functional theoretical calculations of manganese corroles. A parallelism between high-valent metallocorroles and metalloporphyrins, relevant to horseradish peroxidase and chloroperoxidase compound I and II intermediates. (2002) (29)
- Direct Porphyrin−Aryl Orbital Overlaps in Some meso-Tetraarylporphyrins (1998) (29)
- Mono- and diboron corroles: factors controlling stoichiometry and hydrolytic reactivity. (2014) (29)
- Ligand noninnocence in FeNO corroles: insights from β-octabromocorrole complexes. (2016) (29)
- Spin coupling in Roussin's red and black salts. (2010) (29)
- X-ray Absorption Spectroscopy as a Probe of Ligand Noninnocence in Metallocorroles: The Case of Copper Corroles. (2019) (28)
- Iron(IV) Porphyrin Difluoride Does Not Exist: Implications for DFT Calculations on Heme Protein Reaction Pathways. (2005) (28)
- Stepwise Deoxygenation of Nitrite as a Route to Two Families of Ruthenium Corroles: Group 8 Periodic Trends and Relativistic Effects. (2017) (27)
- Corroles cannot ruffle. (2011) (26)
- Models of High-Valent Heme Protein Intermediates: A Quantum Chemical Study of Iron(IV) Porphyrins with Two Univalent Axial π-Bonding Ligands (2004) (25)
- Tungsten Biscorroles: New Chiral Sandwich Compounds. (2016) (25)
- Electronic Structure of Manganese Corroles Revisited: X-ray Structures, Optical and X-ray Absorption Spectroscopies, and Electrochemistry as Probes of Ligand Noninnocence. (2018) (25)
- Iron(III)-nitro porphyrins: theoretical exploration of a unique class of reactive molecules. (2006) (25)
- Norcorrole and Dihydronorcorrole: A Predictive Quantum Chemical Study† (2005) (25)
- β-octabromo-meso-tris(pentafluorophenyl)corrole: reductive demetalation-based synthesis of a heretofore inaccessible, perhalogenated free-base corrole (2010) (23)
- Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and Room-Temperature Near-IR Phosphorescence (2018) (23)
- Synthesis and reactivity studies of a tin(II) corrole complex. (2014) (23)
- Synthesis of Co(II)-NO(-) Complexes and Their Reactivity as a Source of Nitroxyl. (2016) (22)
- Electronic Structure of Non‐Heme High‐Valent Oxoiron Complexes with the Unprecedented [Fe2(μO)2]3+ Core (1996) (22)
- Wolves in Sheep's Clothing: μ-Oxo-Diiron Corroles Revisited. (2016) (22)
- Stabilization and Structure of the cis Tautomer of a Free-Base Porphyrin. (2017) (21)
- Toward modeling H-NOX domains: a DFT study of heme-NO complexes as hydrogen bond acceptors. (2005) (21)
- Ambient-temperature near-IR phosphorescence and potential applications of rhenium-oxo corroles. (2019) (21)
- Reductive coupling and protonation leading to diboron corroles with a B-H-B bridge. (2010) (21)
- Theoretical studies on high‐valent manganese porphyrins: Toward a deeper understanding of the energetics, electron distributions, and structural features of the reactive intermediates of enzymatic and synthetic manganese‐catalyzed oxidative processes (2000) (21)
- Valence ionization potentials and cation radicals of prototype porphyrins. The remarkable performance of nonlocal density functional theory (1997) (21)
- DFT survey of monoboron and diboron corroles: regio- and stereochemical preferences for a constrained, low-symmetry macrocycle. (2008) (20)
- Advanced Paramagnetic Resonance Studies on Manganese and Iron Corroles with a Formal d4 Electron Count. (2020) (20)
- Electronic structure of high-valent transition metal corrolazine complexes. The young and innocent? (2002) (20)
- Norcorrole as a Delocalized, Antiaromatic System (2019) (20)
- Consumption of Fruitflow® lowers blood pressure in pre-hypertensive males: a randomised, placebo controlled, double blind, cross-over study (2018) (20)
- High-valent iron intermediates in biology. (2006) (19)
- Do the One-Electron Oxidized Derivatives of Some Six-Coordinate Low-Spin Iron(III) Porphyrins Feature Strong Metal−Ligand Ferromagnetic Coupling? (2003) (18)
- Ligand Noninnocence in Silver Corroles: A XANES Investigation (2016) (18)
- Ab Initio Hartree-Fock and Local Density Functional Calculations on Prototype Halogenated Porphyrins. Do Electrochemically Measured Substituent Effects Reflect Gas-Phase Trends? (1994) (18)
- Mapping the d-d excited-state manifolds of transition metal beta-diiminato-imido complexes. Comparison of density functional theory and CASPT2 energetics. (2008) (17)
- Electronic structure of transition metal-isocorrole complexes: a first quantum chemical study (2004) (17)
- Demetalation of copper undecaarylcorroles: Molecular structures of a free-base undecaarylisocorrole and a gold undecaarylcorrole. (2016) (16)
- EPR, ENDOR, and DFT studies on (β-octahalo-mesotetraarylporphyrin) copper complexes: Characterization of the metal(dx2 -y2)-porphyrin(a2u) orbital interaction (2005) (16)
- Molecular structure and conformation of dinitrosylheme. (2003) (16)
- Isocorroles as Homoaromatic NIR-Absorbing Chromophores: A First Quantum Chemical Study (2018) (16)
- The Story of 5d Metallocorroles: From Metal–Ligand Misfits to New Building Blocks for Cancer Phototherapeutics (2021) (16)
- Relativistic effects in metallocorroles: comparison of molybdenum and tungsten biscorroles. (2017) (15)
- A First-Principles Quantum Chemical Study of Coenzyme F430: Interplay of Skeletal Stereoisomerism and Conformation in the Stabilization of Nickel(I) (2000) (15)
- Electronic structure of an iron-porphyrin-nitrene complex. (2010) (15)
- Modeling side-on NO coordination to type 2 copper in nitrite reductase: structures, energetics, and bonding. (2005) (15)
- Iridium Corroles Exhibit Weak Near-Infrared Phosphorescence but Efficiently Sensitize Singlet Oxygen Formation (2020) (15)
- Relativity or aromaticity? A first-principles perspective of chemical shifts in osmabenzene and osmapentalene derivatives. (2020) (15)
- Ab initio SCF studies of basis set effects in free base porphin (1991) (15)
- Correlation between the FeNO angle and d-p mixing in {FeNO}7 complexes. (2011) (15)
- Models of high-valent intermediates of non-heme diiron alkane monooxygenases: electronic structure of a bis(micro-oxo)diron(IV) complex with locally low-spin metal centers. (2004) (14)
- Ligand Noninnocence in Coinage Metal Corroles: A Silver Knife-Edge. (2015) (14)
- Azulicorrole (2019) (14)
- Resonance Raman marker bands of β-octahalogeno-meso-tetraarylmetalloporphyrins (2001) (14)
- Spin states at a tipping point: what determines the dz2(1) ground state of nickel(III) tetra(tbutyl)porphyrin dicyanide? (2008) (14)
- Ligand Noninnocence in Cobalt Dipyrrin-Bisphenols: Spectroscopic, Electrochemical, and Theoretical Insights Indicating an Emerging Analogy with Corroles. (2019) (14)
- Ruffling Deformations of Nickel(II) and Zinc(II) Hydroporphyrin and Chlorophin Complexes: Implications for F430, the Nickel Tetrapyrrole Cofactor of Methylcoenzyme M Reductase† (2000) (14)
- Biliverdine-based metalloradicals: sterically enhanced noninnocence. (2006) (14)
- The challenge of being straight: explaining the linearity of a low-spin [FeNO]7 unit in a tropocoronand complex. (2005) (13)
- Amphiphilic Rhenium-Oxo Corroles as a New Class of Sensitizers for Photodynamic Therapy (2020) (13)
- Molecular Structure of a Free-Base β-Octaiodo-meso-tetraarylporphyrin. A Rational Route to cis Porphyrin Tautomers? (2018) (13)
- DFT at its best: metal- versus ligand-centered reduction in nickel hydroporphyrins. (2008) (13)
- CIS-TRANS ISOMERISM IN PORPHYRIN ISOMERS (1997) (13)
- Prevalence of knee osteoarthritis and its determinants in 30-60 years old women of Gurdaspur, Punjab (2018) (13)
- Electronic structure of porphyrins and metalloporphyrins: past, present and future (2000) (12)
- Electronic absorption spectra of copper corroles: unexpected substituent effects in trans-meso-A2B-triarylcorrole complexes (2012) (12)
- X-Ray Photoelectron Spectroscopy of Porphycenes: Charge Asymmetry Across Low-Barrier Hydrogen Bonds. (2001) (12)
- Quantum Chemical Studies of Molecular Structures and Potential Energy Surfaces of Porphyrins and Hemes (2003) (12)
- Benzoannelation stabilizes the d(xy)1 state of low-spin iron(III) porphyrinates. (2011) (12)
- A comparison of ortho, meta, and para substituent effects in tetraphenylporphyrins: insights into the nature of the porphyrin-phenyl electronic interaction (1996) (12)
- Magnetic Diversity in Heteroisocorroles: Aromatic Pathways in 10-Heteroatom-Substituted Isocorroles (2018) (12)
- Synthesis and Molecular Structure of 99 Tc Corroles. (2016) (11)
- Singlet-Triplet Gaps of Cobalt Nitrosyls: Insights from Tropocoronand Complexes. (2015) (11)
- β‐Octabromo‐ and β‐Octakis(trifluoromethyl)isocorroles: New Sterically Constrained Macrocyclic Ligands (2017) (11)
- Monodeprotonated Free Base Porphyrin (1997) (11)
- Trigonal bipyramidal iron(III) and manganese(III) oxo, sulfido, and selenido complexes. An electronic-structural overview. (2006) (11)
- Energetics of Saddling versus Ruffling in Metalloporphyrins: Unusual Ruffled Dodecasubstituted Porphyrins (2017) (11)
- Improved syntheses of β-octabromo-meso-triarylcorrole derivatives. (2015) (11)
- Synthesis and Molecular Structure of a Copper Octaiodocorrole (2018) (11)
- Halterman Corroles and Their Use as a Probe of the Conformational Dynamics of the Inherently Chiral Copper Corrole Chromophore. (2018) (11)
- Infrared Spectroelectrochemistry of Iron-Nitrosyl Triarylcorroles. Implications for Ligand Noninnocence (2020) (10)
- Arrow Pushing in Inorganic Chemistry: A Logical Approach to the Chemistry of the Main-Group Elements (2014) (10)
- Rhenium-Imido Corroles (2020) (10)
- An Exemplary Gay Scientist and Mentor: Martin Gouterman (1931-2020). (2021) (10)
- A DFT overview of high-valent iron, cobalt and nickel tetraamidomacrocyclic ligand (TAML) complexes: the end of innocence? (2006) (10)
- Density functional theory calculations on ruthenium(IV) bis(amido) porphyrins: search for a broader perspective of heme protein compound II intermediates. (2010) (10)
- Relativistic Effects on a Metal-Metal Bond: Osmium Corrole Dimers. (2019) (10)
- Molecular structure of gold 2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4′-pentafluorosulfanylphenyl)corrole: Potential insights into the insolubility of gold octabromocorroles (2018) (10)
- Rhenium Corrole Dimers: Electrochemical Insights into the Nature of the Metal–Metal Quadruple Bond (2021) (10)
- Iron(II) Corrole Anions. (2019) (9)
- 99Tc Corroles: A Step Toward Corrole-Based Radioimaging and Therapy (2016) (9)
- Understanding Hyperporphyrin Spectra: TDDFT Calculations on Diprotonated Tetrakis(p-aminophenyl)porphyrin (2021) (9)
- Electronic Structure of Neutral and Anionic Iron-Nitrosyl Corrole. A Multiconfigurational and Density Matrix Renormalization Group Investigation. (2020) (9)
- The Valence States of Copernicium and Flerovium (2016) (9)
- Local versus global aromaticity in azuliporphyrin and benziporphyrin derivatives. (2018) (9)
- Unexpected Molecular Structure of a Putative Rhenium‐Dioxo‐Benzocarbaporphyrin Complex. Implications for the Highest Transition Metal Valence in a Porphyrin‐Type Ligand Environment (2019) (8)
- Chapter 1 – Mammalian Myoglobin as a Model for Understanding Ligand Affinities and Discrimination in Heme Proteins (2008) (8)
- 1950–2000: Fifty years of theoretical research on porphyrins (2001) (8)
- Gold dipyrrin-bisphenolates: a combined experimental and DFT study of metal–ligand interactions (2019) (8)
- Metalloporphyrin-Nitroxyl Interactions: The Low-Energy States of Reduced Manganese, Iron, and Cobalt Porphyrin Nitrosyls. (2016) (8)
- Electronic ménages a trois: a molecular orbital perspective of protonated ferryl intermediates and synthetic models. (2006) (8)
- Electrophilic Activation of Osmium-Nitrido Corroles: The OsN Triple Bond as a π-Acceptor Metallaligand in a Heterobimetallic OsVIN–PtII Complex (2020) (8)
- REVISITING THE PUTATIVE FERRYL TILTING MODE OF OXIDIZED CYTOCHROME C OXIDASE WITH DENSITY FUNCTIONAL VIBRATIONAL ANALYSES OF MODEL COMPLEXES (1998) (8)
- Heavy Metal Effects on the Photovoltaic Properties of Metallocorroles in Dye-Sensitized Solar Cells (2020) (8)
- Iron porphyrin dications with neutral axial ligands: DFT calculations delineate similarities with heme protein compound II intermediates. (2011) (7)
- Main-Group-Element Isophlorin Complexes Revisited: The Question of a Subvalent Central Atom. (2019) (7)
- Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO}7 Complexes (2018) (7)
- When being straight bends rules: a rationale for the linear FeNO unit in the low-spin square-pyramidal {FeNO}7 tetracyanonitrosylferrate(2-) anion. (2006) (7)
- Square-antiprismatic eight-coordinate complexes of divalent first-row transition metal cations: a density functional theory exploration of the electronic-structural landscape. (2015) (7)
- Protonation-Induced Hyperporphyrin Spectra of meso-Aminophenylcorroles (2020) (7)
- Electronic structure of a paramagnetic {MNO}6 complex: MnNO 5,5-tropocoronand. (2010) (7)
- Metallocorroles as inherently chiral chromophores: resolution and electronic circular dichroism spectroscopy of a tungsten biscorrole. (2017) (7)
- Six Impossible Mechanisms Before Breakfast: Arrow Pushing as an Instructional Device in Inorganic Chemistry (2013) (7)
- Sexual behavior of adolescent students in Chandigarh and their perceptions regarding family life education (2017) (7)
- Metallocorrole Interactions with Carbon Monoxide, Nitric Oxide, and Nitroxyl-A DFT Study of Low-Energy Bound States. (2016) (7)
- An Atypical Rare Case of Extracranial Craniopharyngioma (2013) (6)
- Ab initio wavefunctions in bioinorganic chemistry: More than a succès d’estime? (2011) (6)
- Molecular Structure of Copper and μ-Oxodiiron Octafluorocorrole Derivatives: Insights into Ligand Noninnocence (2020) (6)
- Computational bioinorganic chemistry. Part III. The tools of the trade: from high-level ab initio calculations to structural bioinformatics. (2003) (6)
- Comparative Thermochemistry of Metalloporphyrin Isomers as a Function of Metal Ion Size. A Possible Insight into Nature's Choice of Porphyrin over Isomeric Ligands (1998) (6)
- Conformational Flexibility of meso-Tetrakis(perfluoroalkyl)porphyrins: Energetics of Ruffling versus Saddling (2000) (6)
- Arrow Pushing: A Rational, Participatory Approach To Teaching Descriptive Inorganic Chemistry (2011) (5)
- Electronic Structure Calculations: Transition Metal—NO Complexes (2009) (5)
- Stereochemical diversity of {MNO}(10) complexes: molecular orbital analyses of nickel and copper nitrosyls. (2014) (5)
- The Hyperporphyrin Concept: A Contemporary Perspective (2022) (5)
- Pentafluorosulfanyltrimethylsilane: A Nonexistent Molecule? (2015) (5)
- Letters to a Young Chemist: Ghosh/Letters to a Young Chemist (2011) (5)
- Highlights of Carbaporphyrin Chemistry (1998) (5)
- Reply to 'Nitrite–methemoglobin inadequate for hypoxic vasodilation' (2009) (5)
- Electronic structure of cis-Mo(P)(NO)2, where P is a porphyrin: an organometallic perspective of metalloporphyrin-NO complexes. (2005) (5)
- X-ray photoelectron spectral characterization of the extremely electron-deficient nature of .beta.-octakis(N,N-diethylcarboxamido)porphyrin (1993) (5)
- Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-meso-tetraarylporphyrins (2020) (4)
- Letters to a young chemist (2011) (4)
- Comparing Isoelectronic, Quadruple-Bonded Metalloporphyrin and Metallocorrole Dimers: Scalar-Relativistic DFT Calculations Predict a >1 eV Range for Ionization Potential and Electron Affinity (2021) (4)
- Understanding the unexpected linearity of the trans-{Mn(NO)2}8 unit in a phthalocyanine complex: some thoughts on dinitrosylheme intermediates in biology. (2005) (4)
- Free-base porphyrins with localized NH protons. Can substituents alone stabilize the elusive cis tautomer? (2020) (4)
- Relativity as a Synthesis Design Principle: A Comparative Study of [3 + 2] Cycloaddition of Technetium(VII) and Rhenium(VII) Trioxo Complexes with Olefins (2021) (4)
- Unique Orbital Symmetry-Driven Cisoid Tilting of the Axial Ligands in Dialkylruthenium(IV) Porphyrins† (2004) (4)
- Theory and computing in contemporary coordination chemistry (2009) (4)
- A Perspective of One‐Pot Pyrrole—Aldehyde Condensations as Versatile Self‐Assembly Processes (2004) (4)
- One‐Pot Synthesis of a bis‐Pocket Corrole through a 14‐fold Bromination Reaction (2017) (3)
- Models of the ox1 state of methylcoenzyme M reductase: where are the electrons? (2008) (3)
- High-Valent Transition Metal Centers Versus Noninnocent Ligands in Metallocorroles: Insights from Electrochemistry and Implications for High-Valent Heme Protein Intermediates (2003) (3)
- Health problems in children and associatedremedial measures in Punjab, India (2015) (3)
- Local symmetry and chirality of molecular faces (2000) (3)
- Tetrahedral Pegs in Square Holes: Stereochemistry of Diboron Porphyrazines and Phthalocyanines. (2019) (3)
- Simple, Axial Ligand-Mediated Route to Water-Soluble Iridium Corroles (2021) (3)
- Nature of the copper-nitrosyl intermediates of copper nitrite reductases during catalysis† (2020) (3)
- Synthesis and molecular structure of perhalogenated rhenium-oxo corroles (2020) (3)
- Influence of β-octabromination on free-base triarylcorroles: Electrochemistry and protonation-deprotonation reactions in nonaqueous media (2017) (2)
- The Blue–Violet Color of Pentamethylbismuth: A Visible Spin‐Orbit Effect (2016) (2)
- Rapid one-pot synthesis of pyrrole-appended isocorroles. (2019) (2)
- Ligand-Centered Triplet Diradical Supported by a Binuclear Palladium(II) Dipyrrindione (2021) (2)
- Out in Inorganic Chemistry: A Celebration of LGBTQIAPN+ Inorganic Chemists. (2022) (2)
- Heavy-element-ligand covalence: ligand noninnocence in molybdenum and tungsten Viking-helmet Corroles. (2021) (2)
- Heme-diatomic interactions (1997) (2)
- Regional anaesthesia in a patient with aortic stenosis for bladder tumour resection (2017) (2)
- Theoretical Search for the Highest Valence States of the Coinage Metals: Roentgenium Heptafluoride May Exist. (2019) (2)
- Property Estimation with Automated Ball Indentation Using Artificial Neural Network and Finite Element Simulation (2010) (2)
- Bonding in Low-Coordinate Environments: Electronic Structure of Distorted Square-Planar Iron-Imido Complexes With Pincer-Type Ligands. (2008) (2)
- Heme–diatomic interactions: Across time, taxa and disciplines (2005) (2)
- Iridium(VII)–Corrole Terminal Carbides Should Exist as Stable Compounds (2021) (2)
- A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives (2021) (2)
- Regioselective formylation of rhenium-oxo and gold corroles: substituent effects on optical spectra and redox potentials (2021) (2)
- Theoretical Comparative Study of Free Base Porphyrin, Chlorin, Bacteriochlorin, and Isobacteriochlorin: Evaluation of the Potential Roles of ab initio Hartree-Fock and Density Functional Theories in Hydroporphyrin Chemistry. (1997) (1)
- Mechanisms of Oxygen Atom Transfer between Main‐Group Elements (2015) (1)
- X-ray absorption spectroscopy of archetypal chromium porphyrin and corrole derivatives (2020) (1)
- Guest Section: Theoretical perspectives on bioinorganic chemistry. Part I. Hemes, B12 and F430 (2001) (1)
- Group 14 Elements (2014) (1)
- The Question of the Redox Site in Metal–Metal Multiple-Bonded Metallocorrole Dimers (2022) (1)
- The Grammar of the Elements (2019) (1)
- Twist-Bent Bonds Revisited: Adiabatic Ionization Potentials Demystify Enhanced Reactivity (2022) (1)
- Correction: X-ray absorption spectroscopy of exemplary platinum porphyrin and corrole derivatives: metal- versus ligand-centered oxidation (2021) (1)
- Stereochemistry of Transition-Metal Dinitrosyl Complexes. A Molecular Orbital Rationale for the Attracto and Repulso Conformations. (2019) (1)
- A quiz on stereochemistry (1987) (1)
- High-valent metalloporphyrins: metal- versus ligand-centered oxidation (2001) (1)
- X-ray absorption spectroscopy of exemplary platinum porphyrin and corrole derivatives: metal- versus ligand-centered oxidation (2021) (1)
- General plastic collapse equations of pipe bend with or without crack under in-plane bending (2011) (1)
- Porphyryne (2022) (1)
- NIR-emissive, singlet-oxygen-sensitizing gold tetra(thiocyano)corroles. (2022) (1)
- Knowledge of sex, sexual behaviour, AIDS and reproductive health among early adolescents in Delhi (2003) (1)
- Metallaaromaticity - a protean world. (2022) (1)
- Theoretical perspectives on bioinorganic chemistry. Part II. Non-heme metalloenzymes. (2002) (1)
- The Dog That Didn’t Bark: A New Interpretation of Hypsoporphyrin Spectra and the Question of Hypsocorroles (2021) (1)
- Corrole and squeezed coordination. (2022) (1)
- Diboron porphyrins and corroles: unexpected chemistry for both boron and the ligands (2010) (1)
- Correction to Density Functional Theory Calculations on Mössbauer Parameters of Nonheme Iron Nitrosyls (2011) (1)
- The Blue–Violet Color of Pentamethylbismuth: A Visible Spin-Orbit Effect (2017) (1)
- Chemistry's Curly Arrow Hits 100 (2022) (0)
- CCDC 1535566: Experimental Crystal Structure Determination (2017) (0)
- Appendix B: A Short List of Advanced Organic Chemistry Textbooks (2014) (0)
- Electronic Structure of Porphyrins and Metalloporphyrins: Past, Present, and Future (2000) (0)
- Unit-3 Religion And Gender (2018) (0)
- Ab initio calculations on biologically relevant high-valent iron-oxo species (1993) (0)
- The Purple Planet: A Short Tour of Porphyrins and Related Macrocycles (2011) (0)
- Tetrahedral Pegs in Square Holes: Stereochemistry of Diboron Porphyrazines and Phthalocyanines (2018) (0)
- The Valence States of Copernicium and Flerovium. (2016) (0)
- Group 13 Elements (2014) (0)
- Rücktitelbild: Oxidative Metalation as a Route to Size‐Mismatched Macrocyclic Complexes: Osmium Corroles (Angew. Chem. 52/2014) (2014) (0)
- Nonaromatic naphthocorroles. (2023) (0)
- X-Ray Photoelectron Spectroscopy of Porphycenes: Charge Asymmetry Across Low-Barrier Hydrogen Bonds This work was supported by the Norwegian Research Council, the VISTA program of Statoil (Norway), the Norwegian Academy of the Sciences and Letters, and the Deutsche Forschungsgemeinschaft. A.G. ackno (2001) (0)
- Trigonal Bipyramidal Iron(III) and Manganese(III) Oxo, Sulfido, and Selenido Complexes: An Electronic Structural Overview (2006) (0)
- B12 and F430 models: Metal- versus ligand-centered redox in cobalt and nickel tetradehydrocorrin derivatives. (2023) (0)
- Cover Picture: Ligand Noninnocence in Coinage Metal Corroles: A Silver Knife‐Edge (Chem. Eur. J. 47/2015) (2015) (0)
- Cover Picture: Electronic Structure of High-Spin Iron(IV) Complexes (Eur. J. Inorg. Chem. 23/2004) (2004) (0)
- CCDC 1535564: Experimental Crystal Structure Determination (2017) (0)
- Abstract Submission FMPC 2015 (2018) (0)
- Single and Multiple Wavelength Conversion Using Double Pump Four-Wave-Mixing in a Semiconductor Optical Amplifier (1999) (0)
- Phenol- and resorcinol-appended metallocorroles and their derivatization with fluorous tags (2022) (0)
- Electronic Structure of a Paramagnetic {MNO}[superscript 6] Complex: MnNO 5,5-Tropocoronand (2010) (0)
- Meta-analyses of arsenic accumulation in Indica and Japonica rice grains (2023) (0)
- The Perfluoro Cage Effect: A Search for Electron-Encapsulating Molecules (2023) (0)
- The Heavier Pnictogens (2014) (0)
- Lawrence Berkeley National Laboratory Recent Work Title Stable Platinum ( IV ) Corroles : Synthesis , Molecular Structure , and Room-Temperature Near-IR Phosphorescence Permalink (2018) (0)
- A Metallocorrole with Orthogonal Pyrrole Rings (Eur. J. Inorg. Chem. 12/2011) (2011) (0)
- The s‐Block Elements: Alkali and Alkaline Earth Metals (2014) (0)
- Iridium Corroles Exhibit Weak Near-Infrared Phosphorescence but Efficiently Sensitize Singlet Oxygen Formation (2020) (0)
- Cover Picture: Hemoglobin as a Nitrite Anhydrase: Modeling Methemoglobin‐Mediated N2O3 Formation (Chem. Eur. J. 23/2011) (2011) (0)
- CCDC 1535565: Experimental Crystal Structure Determination (2017) (0)
- Decoding atypical laryngeal growths – A case report (2022) (0)
- AYURVEDIC RECOMMENDATIONS OF DIETARY PRACTICES: KNOWLEDGE ASSESSMENT OF URBAN AND RURAL COMMUNITIES IN A DISTRICT OF PUNJAB, INDIA (2014) (0)
- Multicenter interactions and ligand field effects in platinum(ii) tripyrrindione radicals (2023) (0)
- A Collection of Basic Concepts (2014) (0)
- Theoretical Photoelectron Spectroscopy of Low-Valent Carbon Species: A ∼6 eV Range of Ionization Potentials among Carbenes, Ylides, and Carbodiphosphoranes (2022) (0)
- Treatment-seeking behavior of elderly in Haryana: an evaluation study - (2015) (0)
- Norcorrole as a Delocalized, Antiaromatic System (2019) (0)
- Metalloporphyrin—NO Bonding: Building Bridges with Organometallic Chemistry (2006) (0)
- Structure-sensitive marker bands of metallocorroles: A resonance Raman study of manganese and gold corrole derivatives. (2022) (0)
- The Noble Gases (2014) (0)
- Relativity and the World of Molecules (2023) (0)
- Isocorroles as Homoaromatic NIR-Absorbing Chromophores: A First Quantum Chemical Study (2018) (0)
- Correction to "Out in Inorganic Chemistry: A Celebration of LGBTQIAPN+ Inorganic Chemists". (2022) (0)
- Back Cover: Oxidative Metalation as a Route to Size-Mismatched Macrocyclic Complexes: Osmium Corroles (Angew. Chem. Int. Ed. 52/2014) (2014) (0)
- Appendix A: Inorganic Chemistry Textbooks, with a Descriptive‐Inorganic Focus (2014) (0)
- Group 16 Elements: The Chalcogens (2014) (0)
- Religion of the Oraons (2021) (0)
- Validating an Information Booklet to Promote Wellness in Families Having Children with Birth Defects (2018) (0)
- Stabilization of a Triplet Diradical on a Binuclear palladium(II) Dipyrrindione (2021) (0)
- Transition-Metal Isocorroles as Singlet Oxygen Sensitizers. (2023) (0)
- Calixcorrole (2023) (0)
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