Filipp Furche

Q: What Schools Are Affiliated With Filipp Furche

Filipp Furche is affiliated with the following schools: Karlsruhe Institute of Technology, University of California, Berkeley, University of California, Irvine, University of Cologne, University of Bonn

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Filipp Furche

Chemistry

#4838

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#5932

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Chemistry

Filipp Furche's Degrees

PhD Theoretical Chemistry University of Bonn

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Filipp Furche'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

Adiabatic time-dependent density functional methods for excited state properties (2002) (1750)
Property-optimized gaussian basis sets for molecular response calculations. (2010) (1154)
Gaussian basis sets of quadruple zeta valence quality for atoms H–Kr (2003) (798)
An efficient implementation of second analytical derivatives for density functional methods (2002) (455)
The structures of small gold cluster anions as determined by a combination of ion mobility measurements and density functional calculations (2002) (441)
The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry. (2006) (435)
Turbomole (2014) (431)
Structures of small gold cluster cations (Aun+, n<14): Ion mobility measurements versus density functional calculations (2002) (380)
Circular Dichroism of Helicenes Investigated by Time-Dependent Density Functional Theory (2000) (344)
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations (2020) (341)
Molecular tests of the random phase approximation to the exchange-correlation energy functional (2001) (336)
On the density matrix based approach to time-dependent density functional response theory (2001) (335)
Nuclear second analytical derivative calculations using auxiliary basis set expansions (2004) (313)
Electron correlation methods based on the random phase approximation (2012) (312)
Completing the series of +2 ions for the lanthanide elements: synthesis of molecular complexes of Pr2+, Gd2+, Tb2+, and Lu2+. (2013) (229)
2D-3D transition of gold cluster anions resolved (2008) (222)
Density functional methods for excited states: equilibrium structure and electronic spectra (2005) (217)
Efficient characterization of stationary points on potential energy surfaces (2002) (216)
Developing the random phase approximation into a practical post-Kohn-Sham correlation model. (2008) (207)
Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration. (2010) (192)
Photoinduced intramolecular charge transfer in 4-(dimethyl)aminobenzonitrile--a theoretical perspective. (2004) (185)
First-order nonadiabatic couplings from time-dependent hybrid density functional response theory: Consistent formalism, implementation, and performance. (2010) (179)
Excited states from time-dependent density functional theory (2007) (176)
Fluctuation-dissipation theorem density-functional theory. (2005) (165)
Identification of the +2 oxidation state for uranium in a crystalline molecular complex, [K(2.2.2-cryptand)][(C5H4SiMe3)3U]. (2013) (163)
Erratum: “Time-dependent density functional methods for excited state properties” [J. Chem. Phys. 117, 7433 (2002)] (2004) (157)
Assessing Excited State Methods by Adiabatic Excitation Energies. (2011) (148)
Expanding rare-earth oxidation state chemistry to molecular complexes of holmium(II) and erbium(II). (2012) (145)
Structural, spectroscopic, and theoretical comparison of traditional vs recently discovered Ln(2+) ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] complexes: the variable nature of Dy(2+) and Nd(2+). (2015) (142)
An improved method for density functional calculations of the frequency-dependent optical rotation (2002) (137)
A parameter-free density functional that works for noncovalent interactions (2011) (131)
Ab initio non-adiabatic molecular dynamics. (2013) (129)
Au34-: a chiral gold cluster? (2007) (123)
Analytical time-dependent density functional derivative methods within the RI-J approximation, an approach to excited states of large molecules. (2005) (116)
Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II). (2019) (107)
Random-Phase Approximation Methods. (2017) (94)
Isolation of dysprosium and yttrium complexes of a three-electron reduction product in the activation of dinitrogen, the (N2)3- radical. (2009) (89)
Identification of the Formal +2 Oxidation State of Plutonium: Synthesis and Characterization of {PuII[C5H3(SiMe3)2]3}. (2017) (87)
Circular dichroism: electronic (2012) (87)
Harnessing the meta-generalized gradient approximation for time-dependent density functional theory. (2012) (86)
Unravelling the details of vitamin D photosynthesis by non-adiabatic molecular dynamics simulations. (2011) (81)
Basis set convergence of molecular correlation energy differences within the random phase approximation. (2012) (81)
Communication: Random phase approximation renormalized many-body perturbation theory. (2013) (76)
Facile bismuth-oxygen bond cleavage, C-H activation, and formation of a monodentate carbon-bound oxyaryl dianion, (C₆H₂(t)Bu₂-3,5-O-4)²⁻. (2011) (73)
Lagrangian approach to molecular vibrational Raman intensities using time-dependent hybrid density functional theory. (2007) (67)
First-order derivative couplings between excited states from adiabatic TDDFT response theory. (2015) (65)
Solution Synthesis, Structure, and CO2 Reduction Reactivity of a Scandium(II) Complex, {Sc[N(SiMe3 )2 ]3 }. (2017) (65)
Synthesis, structure, and magnetism of an f element nitrosyl complex, (C5Me4H)3UNO. (2012) (63)
Accuracy of Electron Affinities of Atoms in Approximate Density Functional Theory (2010) (61)
Comment on “Assessment of exchange correlation functionals” [A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000) 160–166] (2000) (58)
Synthesis of the (N2)3- radical from Y2+ and its protonolysis reactivity to form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 reduction system. (2011) (57)
At What Size Do Neutral Gold Clusters Turn Three-Dimensional? (2014) (56)
Approximate Density Functionals: Which Should I Choose? (2009) (55)
Isolation of a radical dianion of nitrogen oxide (NO)(2-). (2010) (53)
Analytical First-Order Molecular Properties and Forces within the Adiabatic Connection Random Phase Approximation. (2014) (53)
Synthesis, Structure, and Magnetism of Tris(amide) [Ln{N(SiMe3 )2 }3 ]1- Complexes of the Non-traditional +2 Lanthanide Ions. (2018) (53)
Fullerene C80: Are there still more isomers? (2001) (52)
(N2)3- radical chemistry via trivalent lanthanide salt/alkali metal reduction of dinitrogen: new syntheses and examples of (N2)2- and (N2)3- complexes and density functional theory comparisons of closed shell Sc3+, Y3+, and Lu3+ versus 4f(9) Dy3+. (2011) (50)
Mechanism of photocatalytic water oxidation on small TiO2 nanoparticles (2016) (48)
Synthesis, structure, and density functional theory analysis of a scandium dinitrogen complex, [(C(5)Me(4)H)(2)Sc](2)(mu-eta(2):eta(2)-N(2)). (2010) (47)
Towards a practical pair density-functional theory for many-electron systems (2004) (46)
Time-Dependent Density Functional Theory in Quantum Chemistry (2005) (46)
Structures, C–H and C–CH3 bond energies at borders of polycyclic aromatic hydrocarbons (2000) (44)
Light-Activated Chemical Probing of Nucleobase Solvent Accessibility Inside Cells (2018) (43)
Isolation of (CO)1- and (CO2)1- radical complexes of rare earths via Ln(NR2)3/K reduction and [K2(18-crown-6)2]2+ oligomerization. (2012) (42)
Direct photolysis of carbonyl compounds dissolved in cloud and fog~droplets (2013) (41)
Absolute configuration of D(2)-symmetric fullerene C(84). (2002) (41)
Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex. (2016) (40)
Insertion of CO2 and COS into Bi-C bonds: reactivity of a bismuth NCN pincer complex of an oxyaryl dianionic ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2(t)Bu2O). (2013) (40)
Photoelectron spectroscopy of C(84) dianions. (2003) (39)
Accelerating molecular property calculations with nonorthonormal Krylov space methods. (2016) (38)
Tetramethylcyclopentadienyl Ligands Allow Isolation of Ln(II) Ions across the Lanthanide Series in [K(2.2.2-cryptand)][(C5Me4H)3Ln] Complexes (2018) (37)
Photodissociation spectroscopy of Ag4+(N2)m, m=0–4 (2000) (35)
Circular dichroism and conformational dynamics of cephams and their carba and oxa analogues. (2007) (35)
Photoelectron spectroscopy of fullerene dianions C76(2-), C78(2-), and C84(2-). (2005) (35)
Quadratic Response Properties from TDDFT: Trials and Tribulations. (2017) (34)
Ligand Effects in the Synthesis of Ln2+ Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C–H Bond Activation of an Indenyl Anion (2015) (33)
Importance of Vibronic Effects in the UV-Vis Spectrum of the 7,7,8,8-Tetracyanoquinodimethane Anion. (2016) (30)
Synthesis, Structure, and Reactivity of the Sterically Crowded Th3+ Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4]. (2017) (29)
Metal versus Ligand Reduction in Ln3+ Complexes of a Mesitylene-Anchored Tris(Aryloxide) Ligand. (2018) (29)
Förster Energy Transfer and Davydov Splittings in Time-Dependent Density Functional Theory: Lessons from 2-Pyridone Dimer. (2009) (28)
Isolation of a Square Planar Th(III) Complex: Synthesis and Structure of [Th(OC6H2tBu2-2,6-Me-4)4]1. (2019) (28)
Brominated Luciferins Are Versatile Bioluminescent Probes (2017) (27)
Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules. (2019) (26)
End-On Bridging Dinitrogen Complex of Scandium. (2017) (26)
Expanding the Scope of RNA Metabolic Labeling with Vinyl Nucleosides and Inverse Electron-Demand Diels-Alder Chemistry. (2019) (25)
Unphysical divergences in response theory. (2016) (25)
Excited States and Photochemistry (2006) (24)
A 9.2-GHz clock transition in a Lu(II) molecular spin qubit arising from a 3,467-MHz hyperfine interaction (2022) (23)
Synthesis, structure, and physical properties for a series of trigonal bipyramidal M(II)-Cl complexes with intramolecular hydrogen bonds. (2012) (23)
Dinitrogen reduction via photochemical activation of heteroleptic tris(cyclopentadienyl) rare-earth complexes. (2013) (23)
Metal effects on ligand non-innocence in Group 5 complexes of the redox-active [ONO] pincer ligand. (2014) (22)
Dinitrogen Reduction, Sulfur Reduction, and Isoprene Polymerization via Photochemical Activation of Trivalent Bis(cyclopentadienyl) Rare-Earth-Metal Allyl Complexes (2015) (21)
Which functional should I choose (2009) (21)
That Little Extra Kick: Nonadiabatic Effects in Acetaldehyde Photodissociation. (2016) (20)
Variational generalized Kohn-Sham approach combining the random-phase-approximation and Green's-function methods (2019) (20)
Synthesis of (C5Me5)2(C5Me4H)UMe, (C5Me5)2(C5H5)UMe, and (C5Me5)2UMe[CH(SiMe3)2] from cationic metallocenes for the evaluation of sterically induced reduction. (2008) (19)
Stereochemical Assingment of β -lactam Antibiotics and their Analogues by Electronic Circular Dichroism Spectroscopy (2010) (19)
Asymmetric total synthesis of (+)-fumimycin via 1,2-addition to ketimines. (2010) (19)
Ring-expanded bicyclic β-lactams: a structure-chiroptical properties relationship investigation by experiment and calculations. (2011) (19)
Reduction chemistry of the mixed ligand metallocene [(C5Me5)(C8H8)U]2(μ-C8H8) with bipyridines (2010) (19)
Performance and Scope of Perturbative Corrections to Random-Phase Approximation Energies. (2018) (18)
Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation. (2019) (16)
What Is the Price of Open-Source Software? (2015) (15)
Structure of endohedral fullerene Eu@C74. (2009) (14)
Development and Implementation of Excited-State Gradients for Local Hybrid Functionals. (2019) (14)
Assessment of Density Functional Theory in Predicting Interaction Energies between Water and Polycyclic Aromatic Hydrocarbons: from Water on Benzene to Water on Graphene. (2018) (14)
Using Diamagnetic Yttrium and Lanthanum Complexes to Explore Ligand Reduction and C-H Bond Activation in a Tris(aryloxide)mesitylene Ligand System. (2018) (12)
Differentiating Chemically Similar Lewis Acid Sites in Heterobimetallic Complexes: The Rare-Earth Bridged Hydride (C5Me5)2Ln(μ-H)2Ln′(C5Me5)2 and Tuckover Hydride (C5Me5)2Ln(μ-H)(μ-η1:η5-CH2C5Me4)Ln′(C5Me5) Systems (2014) (11)
Is there symmetry breaking in the first excited singlet state of 2-pyridone dimer? (2010) (11)
Chiral cooperativity and solvent-induced tautomerism effects in electronic circular dichroism spectra of [2.2]paracyclophane ketimines. (2009) (10)
Density functional theory and X-ray analysis of the structural variability in η5,η5,η1-tris(ring) rare earth/actinide tetramethylpyrrolyl complexes, (C5Me5)2M(NC4Me4). (2013) (10)
Effective one-particle energies from generalized Kohn-Sham random phase approximation: A direct approach for computing and analyzing core ionization energies. (2019) (10)
Trigonal-Planar versus Pyramidal Geometries in the Tris(ring) Heteroleptic Divalent Lanthanide Complexes (C5Me5)Ln(μ-η6:η1-Ph)2BPh2: Crystallographic and Density Functional Theory Analysis (2009) (10)
Diastereoselective Coupling of Chiral Acetonide Trisubstituted Radicals with Alkenes. (2016) (9)
Theoretical Study of Divalent Bis(Pentaisopropylcyclopentadienyl) Actinocenes. (2019) (9)
5-Methoxyquinoline Photobasicity is Mediated by Water Oxidation. (2019) (8)
Selfconsistent random phase approximation methods. (2021) (8)
Varying the Lewis base coordination of the Y2N2 core in the reduced dinitrogen complexes {[(Me3Si)2N]2(L)Y}2(μ-η2:η2-N2) (L = benzonitrile, pyridines, triphenylphosphine oxide, and trimethylamine N-oxide). (2012) (8)
C–H Bond Activation via U(II) in the Reduction of Heteroleptic Bis(trimethylsilyl)amide U(III) Complexes (2020) (8)
Synthesis of Ln(II)-in-Cryptand Complexes by Chemical Reduction of Ln(III)-in-Cryptand Precursors: Isolation of a Nd(II)-in-Cryptand Complex. (2020) (8)
Synthesis and Reduction of Heteroleptic Bis(cyclopentadienyl) Uranium(III) Complexes. (2022) (7)
In search of tris(trimethylsilylcyclopentadienyl) thorium. (2019) (6)
Synthesis and reductive chemistry of bimetallic and trimetallic rare-earth metallocene hydrides with (C5H4SiMe3)1− ligands (2017) (6)
Clock Transition Due to a Record 1240 G Hyperfine Interaction in a Lu(II) Molecular Spin Qubit (2021) (6)
Strong Ferromagnetic Exchange Coupling and Single-Molecule Magnetism in MoS43--Bridged Dilanthanide Complexes. (2021) (6)
Photoelectron Spectroscopy of C84 Dianions (2003) (5)
Light-activated chemical probing of nucleobase solvent accessibility inside cells. (2018) (5)
Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3). (2020) (4)
High-Resolution X-ray Photoelectron Spectroscopy of Organometallic (C5H4SiMe3)3LnIII and [(C5H4SiMe3)3LnII]1- Complexes (Ln = Sm, Eu, Gd, Tb). (2021) (4)
Absolute Configuration of D2-Symmetric Fullerene C84. (2002) (4)
Erratum: "Harnessing the meta-generalized gradient approximation for time-dependent density functional theory" [J. Chem. Phys. 137, 164105 (2012)]. (2022) (4)
Response Theory and Molecular Properties (2018) (4)
Synthesis of a Heteroleptic Pentamethylcyclopentadienyl Yttrium(II) Complex, [K(2.2.2-Cryptand)]{(C5Me5)2YII[N(SiMe3)2]}, and Its C–H Bond Activated Y(III) Derivative (2021) (4)
STRUCTURES OF SMALL GOLD CLUSTER IONS (2008) (3)
Density Functional Theory Analysis of the Importance of Coordination Geometry for 5f36d1 versus 5f4 Electron Configurations in U(II) Complexes. (2021) (3)
Facile BismuthOxygen Bond Cleavage, CH Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (2011) (3)
Theoretical chemistry 2008 (2009) (3)
anion containing thorium in the formal +2 oxidation state† (2015) (2)
Exploring the Solvation of Acetic Acid in Water Using Liquid Jet X-ray Photoelectron Spectroscopy and Core Level Electron Binding Energy Calculations. (2021) (2)
Synthesis of Ln II ‐in‐Cryptand Complexes by Chemical Reduction of Ln III ‐in‐Cryptand Precursors: Isolation of a Nd II ‐in‐Cryptand Complex (2020) (1)
Synthesis , Structure , and Magnetism of an f Element Nitrosyl Complex , ( C 5 Me 4 H ) 3 UNO (2011) (1)
Effect of Ammonium Salts on the Decarboxylation of Oxaloacetic Acid in Atmospheric Particles (2021) (1)
Static polarizabilities within the generalized Kohn-Sham semicanonical projected random phase approximation (GKS-spRPA). (2022) (1)
Photoelectron spectroscopy of fullerene dianions C2-76, C2-78, and C2-84 (2005) (1)
Correction to Ring-Expanded Bicyclic β-Lactams: A Structure–Chiroptical Properties Relationship Investigation by Experiment and Calculations (2011) (1)
Dispersion size-consistency (2022) (1)
Synthesis of a 2-Isocyanophenolate Ligand, (2-CNC6H4O)1–, by Ring-Opening of Benzoxazole with Rare-Earth Metal Complexes (2021) (1)
Adiabatic connection fluctuation dissipation theorem density functionals beyond the random phase approximation (2008) (0)
Divergence of many-body perturbation theory in noncovalent interactions (2020) (0)
Reduction of Rare-Earth Metal Complexes Induced by γ Irradiation. (2022) (0)
CCDC 1529521: Experimental Crystal Structure Determination (2017) (0)
Libkrylov: A modular open‐source software library for extremely large on‐the‐fly matrix computations (2023) (0)
Tackling Non‐Adiabatic Effects by Time‐Dependent Density Functional Theory (2010) (0)
TITLE:: HIGH TEMPERATURE RESISTANCE AND REACTIVITY OF CARBON NANOTUBE ELECTRONIC CIRCUITS (2010) (0)
Erratum: “Photodissociation spectroscopy of Ag4+(N2)m, m=0–4” [J. Chem. Phys. 113, 5361 (2000)] (2000) (0)
Importance of imposing gauge invariance in time-dependent density functional theory calculations with meta-generalized gradient approximations. (2022) (0)
Title Direct photolysis of carbonyl compounds dissolved in cloud and fog droplets Comments on the manuscript entitled “ Direct photolysis of carbonyl compounds dissolved in cloud and fog droplets ” by (2013) (0)
Quinonile Photobasicity is Mediated by Hole Injection (2018) (0)
Efficient Implementation of the Approximate Exchange Kernel Method (2018) (0)
Optimized Ensemble Time-Dependent Density Functional Theory (2018) (0)
Asymmetric Total Synthesis of (+)‐Fumimycin via 1,2‐Addition to Ketimines. (2011) (0)
Covering Trees : New Variational Bounds for MAP Estimation in Markov Random Fields (2013) (0)
Issue Information (2023) (0)
Title Comparisons of lanthanide / actinide + 2 ions in a tris ( aryloxide ) arene coordination environment Permalink (2017) (0)
Room-Temperature Stable Ln(II) Complexes Supported by 2,6-Diadamantyl Aryloxide Ligands. (2023) (0)
CCDC 811911: Experimental Crystal Structure Determination (2011) (0)
Energy and charge transfer in photoexcited molecules - A challenge for TDDFT (2008) (0)
Au34‐: A Chiral Gold Cluster? (2007) (0)
Solid-State End-On to Side-On Isomerization of (N═N)2- in {[(R2N)3Nd]2N2}2- (R = SiMe3) Connects In Situ LnIII(NR2)3/K and Isolated [LnII(NR2)3]1- Dinitrogen Reduction. (2022) (0)
Computational Modeling of Excitation Energy Transfer in Xanthorhodopsin, a Model Light-Harvesting System (2012) (0)
EMSL Science Theme Advisory Panel Workshop - Atmospheric Aerosol Chemistry, Climate Change, and Air Quality (2013) (0)
Fast computation of molecular RPA correlation energies using resolution-ofthe-identity and imaginary frequency integration (2010) (0)
Libkrylov: A modular open-source software library for extremely large and dense eigenvalue and linear problems (2020) (0)

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What Schools Are Affiliated With Filipp Furche?

Filipp Furche is affiliated with the following schools:

Karlsruhe Institute of Technology
University of California, Berkeley
University of California, Irvine
University of Cologne
University of Bonn