Gotthard Seifert

Q: What Schools Are Affiliated With Gotthard Seifert

Gotthard Seifert is affiliated with the following schools: University of Technology, Jamaica, University of Geneva, Samara University , University of the Witwatersrand, Technical University of Berlin, TU Dresden, University of Exeter, University of Konstanz, University of Stuttgart, National University of Science and Technology MISiS

Gotthard Seifert's AcademicInfluence.com Rankings

Gotthard Seifert

Computer Science

#5080

World Rank

#5366

Historical Rank

Numerical Analysis

#24

World Rank

#25

Historical Rank

Machine Learning

#1207

World Rank

#1227

Historical Rank

Artificial Intelligence

#1441

World Rank

#1470

Historical Rank

computer-science Degrees

Gotthard Seifert

Mathematics

#5968

World Rank

#8340

Historical Rank

Measure Theory

#1047

World Rank

#1346

Historical Rank

mathematics Degrees

Download Badge

Computer Science
Mathematics

Why Is Gotthard Seifert Influential?

(Suggest an Edit or Addition)

(See a Problem?)

Gotthard Seifert'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

Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties (1998) (2826)
Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme (1996) (559)
Graphene nanostructures as tunable storage media for molecular hydrogen. (2005) (532)
Atomistic simulations of complex materials: ground-state and excited-state properties (2002) (449)
Designing electrical contacts to MoS2 monolayers: a computational study. (2012) (444)
A Self‐Consistent Charge Density‐Functional Based Tight‐Binding Method for Predictive Materials Simulations in Physics, Chemistry and Biology (2000) (438)
New Route for Stabilization of 1T-WS2 and MoS2 Phases (2011) (390)
Induced magnetic fields in aromatic [n]-annulenes—interpretation of NICS tensor components (2004) (340)
Molybdenum Carbide-Embedded Nitrogen-Doped Porous Carbon Nanosheets as Electrocatalysts for Water Splitting in Alkaline Media. (2017) (307)
A simple tight-binding approach to Time-Dependent Density-Functional Response-Theory (2001) (264)
Electron knock-on cross section of carbon and boron nitride nanotubes (2007) (257)
An Efficient a Posteriori Treatment for Dispersion Interaction in Density-Functional-Based Tight Binding. (2005) (244)
On the mechanical behavior of WS2 nanotubes under axial tension and compression. (2006) (235)
Boron-nitrogen analogues of the fullerenes: electronic and structural properties (1997) (234)
Density functional tight binding (2014) (232)
The diffusion mechanism of an excess proton in imidazole molecule chains: first results of an ab initio molecular dynamics study (2001) (231)
Structural, Electronic, and Mechanical Properties of Single-Walled Halloysite Nanotube Models (2010) (228)
Wafer-sized multifunctional polyimine-based two-dimensional conjugated polymers with high mechanical stiffness (2016) (222)
The induced magnetic field in cyclic molecules. (2004) (219)
Tight-binding density functional theory: an approximate Kohn-Sham DFT scheme. (2007) (217)
Momentum-space indirect interlayer excitons in transition-metal dichalcogenide van der Waals heterostructures (2018) (213)
A hydrogen storage mechanism in single-walled carbon nanotubes. (2001) (206)
Tin(II) Sulfide (SnS) Nanosheets by Liquid-Phase Exfoliation of Herzenbergite: IV-VI Main Group Two-Dimensional Atomic Crystals. (2015) (195)
A Self-Consistent Charge Density-Functional Based Tight-Binding Scheme for Large Biomolecules (2000) (186)
Immobilizing Molecular Metal Dithiolene-Diamine Complexes on 2D Metal-Organic Frameworks for Electrocatalytic H2 Production. (2017) (165)
Fibrous red phosphorus. (2005) (164)
Density‐functional tight binding—an approximate density‐functional theory method (2012) (160)
Imogolite nanotubes: stability, electronic, and mechanical properties. (2007) (157)
Density-functional based tight-binding: an approximate DFT method (2009) (155)
Pentagon adjacency as a determinant of fullerene stability (1999) (151)
The magnetic shielding function of molecules and pi-electron delocalization. (2005) (145)
Hydrogen storage by physisorption on nanostructured graphite platelets (2004) (145)
Metal-organic frameworks: structural, energetic, electronic, and mechanical properties. (2007) (144)
Proton diffusion in perovskites: comparison between BaCeO3, BaZrO3, SrTiO3, and CaTiO3 using quantum molecular dynamics (2000) (142)
Adsorption of Phosphonic Acid at the TiO2 Anatase (101) and Rutile (110) Surfaces (2009) (138)
Defective structure of BN nanotubes: from single vacancies to dislocation lines. (2006) (135)
Defect-induced conductivity anisotropy in MoS2monolayers (2013) (133)
Structure and Bonding in Carbon Clusters C 14 to C 24 : Chains, Rings, Bowls, Plates, and Cages (1997) (132)
Tubular structures of silicon (2001) (130)
Density functional based calculations for Fen (n ≤ 32) (2005) (124)
Electronic structure of small fullerenes : evidence for the high stability of C32 (1998) (122)
Line Defects in Molybdenum Disulfide Layers (2013) (122)
Theoretical prediction of phosphorus nanotubes (2000) (121)
A quantum molecular dynamics study of the cubic phase of BaTiO3 and BaZrO3 (1997) (116)
Stability of Metal Chalcogenide Nanotubes (2002) (113)
Vacancy migration in hexagonal boron nitride (2007) (113)
High Conductivity in Molecularly p‐Doped Diketopyrrolopyrrole‐Based Polymer: The Impact of a High Dopant Strength and Good Structural Order (2016) (111)
Analysis of Aromatic Delocalization: Individual Molecular Orbital Contributions to Nucleus-Independent Chemical Shifts (2003) (110)
Mechanical behavior of individual WS2 nanotubes (2004) (107)
Nanotube composites: novel SiO2 coated carbon nanotubes. (2002) (106)
Density-functional study of LixMoS2 intercalates (0<=x<=1) (2012) (106)
Theoretical Study of the Mechanical Behavior of Individual TiS2 and MoS2 Nanotubes (2012) (105)
Structure, stability and electronic properties of TiO2 nanostructures (2005) (105)
Infrared Spectra of Alkylphosphonic Acid Bound to Aluminium Surfaces (2007) (102)
A quantum molecular dynamics study of proton conduction phenomena in BaCeO3 (1996) (102)
High-pressure in situ 129Xe NMR spectroscopy and computer simulations of breathing transitions in the metal-organic framework Ni2(2,6-ndc)2(dabco) (DUT-8(Ni)). (2011) (99)
New insights into the mechanism of enzymatic chlorination of tryptophan. (2008) (99)
On the electronic structure of WS2 nanotubes (2000) (98)
Structure and stability of endohedral fullerene Sc3N@C80: A Raman, infrared, and theoretical analysis (2001) (98)
Metal-organic frameworks as promising candidates for future ultralow-k dielectrics (2010) (95)
Recent Progress in the Study of Inorganic Nanotubes and Fullerene-Like Structures (2009) (94)
Theory of excitonic second-harmonic generation in monolayer MoS 2 (2013) (93)
Synthesis of copious amounts of SnS2 and SnS2/SnS nanotubes with ordered superstructures. (2011) (90)
Adsorption of phosphonic and ethylphosphonic acid on aluminum oxide surfaces (2008) (89)
3d metal nanowires and clusters inside carbon nanotubes: Structural, electronic, and magnetic properties (2007) (89)
Calculation of excitation energies of organic chromophores: a critical evaluation (2002) (88)
Nonadiabatic dynamics within time-dependent density functional tight binding method. (2009) (87)
Wear, Plasticity, and Rehybridization in Tetrahedral Amorphous Carbon (2013) (87)
Enumeration of not-yet-synthesized zeolitic zinc imidazolate MOF networks: a topological and DFT approach. (2008) (87)
Structure of phosphorus clusters using simulated annealing. II. P9, P10, P11, anions P2−4, P2−10, P3−11, and cations P+n to n=11 (1992) (86)
DNA-wrapped carbon nanotubes (2007) (85)
Pentagonal rings and nitrogen excess in fullerene-based BN cages and nanotube caps (1999) (84)
Structural and Electronic Properties of Cadmium Sulfide Clusters (2000) (83)
Hexagon-preserving carbon foams : Properties of hypothetical carbon allotropes (2006) (82)
Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: application to polycyclic aromatic hydrocarbon clusters. (2009) (80)
Experimental verification of the high stability of Al13H: a building block of a new type of cluster material? (1999) (80)
Structure and stability of molybdenum sulfide fullerenes. (2007) (80)
Hydrogen sieving and storage in fullerene intercalated graphite. (2007) (79)
Co dimers on hexagonal carbon rings proposed as subnanometer magnetic storage bits. (2009) (77)
Modification of carbon nanostructures by high energy ball-milling under argon and hydrogen atmosphere (2005) (75)
C62: Theoretical Evidence for a Nonclassical Fullerene with a Heptagonal Ring (1996) (74)
Controlled doping of MS2 (M=W, Mo) nanotubes and fullerene-like nanoparticles. (2012) (74)
Graphene-based technologies for energy applications, challenges and perspectives (2015) (74)
Packings of Carbon Nanotubes – New Materials for Hydrogen Storage (2011) (74)
Energetics of Fullerenes with Four-Membered Rings (1996) (73)
C36, a hexavalent building block for fullerene compounds and solids (1999) (73)
Theoretical tools for transport in molecular nanostructures (2002) (71)
The relation between crystal structure and the formation and mobility of protonic charge carriers in perovskite-type oxides: A case study of Y-doped BaCeO3 and SrCeO3 (1999) (71)
Anisotropic Thermoelectric Response in Two-Dimensional Puckered Structures (2016) (71)
Novel NbS2 metallic nanotubes (2000) (70)
Hydrogen Adsorption Sites in Zeolite Imidazolate Frameworks ZIF-8 and ZIF-11 (2010) (70)
Observation of a Burstein-Moss shift in rhenium-doped MoS2 nanoparticles. (2013) (70)
Approximate density-functional calculations of spin densities in large molecular systems and complex solids (2001) (69)
Squeezing lone pairs: The A17 to A7 pressure-induced phase transition in black phosphorus (2012) (69)
Molecular wires, solenoids, and capacitors by sidewall functionalization of carbon nanotubes (2000) (67)
Chemical and Electronic Repair Mechanism of Defects in MoS2 Monolayers. (2017) (65)
Optical Excitations in Cadmium Sulfide Nanoparticles (2007) (64)
H2 adsorption in metal-organic frameworks: dispersion or electrostatic interactions? (2008) (64)
AlH3 and Al2H6 : magic clusters with unmagical properties (2001) (63)
Density-functional based tight-binding study of small gold clusters (2006) (63)
Nanosized allotropes of molybdenum disulfide (2007) (62)
Current density functional theory of quantum electrodynamics (1985) (62)
Scanning the potential energy surface of iron clusters: A novel search strategy (2002) (62)
Atom by atom: HRTEM insights into inorganic nanotubes and fullerene-like structures (2008) (62)
Nanolubrication: How Do MoS2-Based Nanostructures Lubricate? (2008) (62)
Toward atomic-scale bright-field electron tomography for the study of fullerene-like nanostructures. (2008) (61)
Hydrogen storage in high surface area graphene scaffolds. (2015) (60)
MoS2 hybrid nanostructures: from octahedral to quasi-spherical shells within individual nanoparticles. (2011) (59)
Boron–nitrogen analogues of the fullerenes: the isolated-square rule (1996) (59)
Adsorption of hydrogen in covalent organic frameworks: Comparison of simulations and experiments (2010) (59)
Hydrogen adsorption by perforated graphene (2015) (59)
Atomic-scale structure of Mo6S6 nanowires. (2008) (58)
Fullerene quantum gyroscope. (2004) (57)
Concentric-shell fullerenes and diamond particles: A molecular-dynamics study (1999) (57)
Molecular Doping of a High Mobility Diketopyrrolopyrrole–Dithienylthieno[3,2-b]thiophene Donor–Acceptor Copolymer with F6TCNNQ (2017) (55)
Torsional stick-slip behavior in WS2 nanotubes. (2008) (55)
Energetics of fullerenes with heptagonal rings (1996) (54)
Cluster-cluster collisions. I. Reaction channels - fusion, deep inelastic and quasielastic collisions (1991) (54)
Strain-induced pseudomagnetic fields in twisted graphene nanoribbons. (2014) (54)
Tubular structures of GaS (2004) (52)
Transport properties of MoS2 nanoribbons: edge priority (2012) (52)
Inorganic Nanotubes and Fullerene-Like Structures (IF) (2007) (51)
Planar tetracoordinate carbons in cyclic hydrocarbons. (2005) (50)
Interfacial Approach toward Benzene‐Bridged Polypyrrole Film–Based Micro‐Supercapacitors with Ultrahigh Volumetric Power Density (2019) (50)
Molecular dynamics and trajectory calculations : the application of an LCAO-LDA scheme for simulatins of cluster-cluster collisions (1992) (50)
Structural and Electronic Properties of Bulk Gibbsite and Gibbsite Surfaces (2005) (50)
Optics, mechanics, and energetics of two-dimensional MoS2 nanostructures from a theoretical perspective. (2015) (50)
Mass spectrometric and theoretical investigations into the formation of argon molecular ions in plasma mass spectrometry (1996) (49)
Treatment of collinear and noncollinear electron spin within an approximate density functional based method. (2007) (49)
Photoelectron investigations and density functional calculations of anionic Sbn− and Bin− clusters (1996) (49)
Exciton g factors of van der Waals heterostructures from first-principles calculations (2020) (48)
Tubular structures of titanium disulfide TiS2 (2004) (48)
Engineering carbon chains from mechanically stretched graphene-based materials (2011) (47)
Quantifying charge transfer energies at donor–acceptor interfaces in small-molecule solar cells with constrained DFTB and spectroscopic methods (2013) (47)
Synthesis of Core–Shell Inorganic Nanotubes (2010) (47)
Nanoplatelets made from MoS2 and WS2 (2006) (47)
A method and results for realistic molecular dynamic simulation of hydrogenated amorphous carbon structures using a scheme consisting of a linear combination of atomic orbitals with the local-density approximation (1992) (46)
Helical nanotube structures of MoS2 with intrinsic twisting: an objective molecular dynamics study. (2010) (46)
Scanning tunneling microscopy study of WS2 nanotubes (2002) (46)
Chemical versus steric frustration in boron nitride heterofullerene polyhedra (2000) (45)
Structure and stability of molybdenum sulfide fullerenes. (2006) (45)
13C NMR fingerprint characterizes long time‐scale structure of Sc3N@C80 endohedral fullerene (2004) (44)
Electronic properties and optical spectra of Mo S 2 and W S 2 nanotubes (2007) (44)
Luminescent Emission of Excited Rydberg Excitons from Monolayer WSe2. (2019) (42)
Structural properties of metal‐organic frameworks within the density‐functional based tight‐binding method (2011) (42)
LCAO-Xα Calculations of Transition Metal Clusters (1985) (42)
Porous Graphene Oxide/Diboronic Acid Materials : Structure and Hydrogen Sorption (2015) (42)
Electromechanical switch based on Mo6S6 nanowires. (2008) (40)
Towards an optimal contact metal for CNTFETs. (2016) (40)
Structure, stability and electronic properties of composite Mo1–x Nbx S2 nanotubes (2006) (40)
Hydrogen storage in zeolite imidazolate frameworks. A multiscale theoretical investigation (2011) (40)
Optical Properties of Cadmium Sulfide Clusters (2003) (39)
Do Cement Nanotubes exist? (2012) (39)
On the nature of the interaction between H2 and metal-organic frameworks (2008) (39)
Hollow V(2)O(5) nanoparticles (fullerene-like analogues) prepared by laser ablation. (2010) (38)
A two-electron mechanism of lithium insertion into layered α-MoO3: a DFT and DFT+U study (2013) (38)
Atomistic investigation of Li+ diffusion pathways in the olivine LiFePO4 cathode material (2011) (38)
Experimental and theoretical studies on inorganic magic clusters : M4X6 (M = W, Mo, X = O, S) (2004) (38)
D5h C50 Fullerene: A Building Block for Oligomers and Solids? (2004) (37)
LCAO Xα calculations of nuclear magnetic shielding in molecules (1985) (37)
Atomic-scale characterization of boron diffusion in silicon (2001) (37)
Adsorption of PTCDA on a partially KBr covered Ag(111) substrate (2006) (36)
X-ray investigation, high-resolution electron holography, and density functional calculations of single-crystalline BaTiO3 (2006) (36)
A Tight-Binding Treatment for 13C NMR Spectra of Fullerenes (1999) (36)
Structures, Energetics and Electronic Properties of Complex III—V Semiconductor Systems (2000) (35)
Self-assembled Monolayers of Alkylphosphonic Acids on Aluminum Oxide Surfaces – A Theoretical Study (2010) (35)
Gate effects in a hexagonal zinc-imidazolate-4-amide-5-imidate framework with flexible methoxy substituents and CO2 selectivity. (2013) (34)
Ionization energies of fullerenes - size and charge dependence (1996) (34)
Ionization energies and Coulomb explosion of highly charged C60 (1996) (34)
Nanocluster magic (2004) (34)
Characteristics of flexibility in metal-organic framework solid solutions of composition [Zn2(BME-bdc)x(DB-bdc)2−xdabco]n: In situ powder X-ray diffraction, in situ NMR spectroscopy, and molecular dynamics simulations (2015) (33)
Synthesis of NiCl2 nanotubes and fullerene-like structures by laser ablation: theoretical considerations and comparison with MoS2 nanotubes (2003) (33)
Optical Properties of Triangular Molybdenum Disulfide Nanoflakes. (2014) (33)
Water Multilayers on TiO2 (101) Anatase Surface: Assessment of a DFTB-Based Method (2017) (33)
Stretching and breaking of monolayer MoS2—an atomistic simulation (2014) (32)
Dielectric Properties of Selected Metal–Organic Frameworks (2014) (31)
Fullerene-like Mo(W)(1-x)Re(x)S2 nanoparticles. (2008) (31)
Curvature effects of nitrogen on graphitic sheets: Structures and energetics (2007) (31)
High resolution TEM study of WS2 nanotubes (2011) (31)
The structure and stability of Si60 and Ge60 cages: A computational study (2003) (31)
Anchoring functional molecules on TiO2 surfaces: A comparison between the carboxylic and the phosphonic acid group (2011) (31)
Localized defect states in MoS2 monolayers: Electronic and optical properties (2016) (30)
The Effects of Organisation, Embedding and Surfactants on the Properties of Cadmium Chalcogenide (CdS, CdSe and CdS/CdSe) Semiconductor Nanoparticles (2005) (30)
Syntheses of two imidazolate-4-amide-5-imidate linker-based hexagonal metal–organic frameworks with flexible ethoxy substituent (2013) (29)
Nuclear magnetic shielding in molecules. The application of GIAO's in LCAO-Xα-calculations (1990) (29)
Electron spin resonance spectra: geometrical and electronic structure of endohedral fullerenes (1998) (29)
Hydrogen adsorption sites and energies in 2D and 3D covalent organic frameworks (2010) (29)
A theoretical study of the structural and electronic properties of CdSe/CdS and CdS/CdSe core/shell nanoparticles (2005) (29)
Hyperdiamond and hyperlonsdaleit: Possible crystalline phases of fullerene C 28 (2005) (28)
Stability and Electronic Properties of Bismuth Nanotubes (2010) (28)
C28 fullerites-structure, electronic properties and intercalates. (2006) (28)
Proton Conduction in a MIL-53(Al) Metal–Organic Framework: Confinement versus Host/Guest Interaction (2014) (28)
MonS2n+x clusters—magic numbers and platelets (2006) (28)
Microscopic Investigation of Shear in Multiwalled Nanotube Deformation (2007) (28)
Nanocrystals: Catalysts on the edge. (2007) (27)
Density functional calculations for Zintl systems: structure, electronic structure and electrical conductivity of liquid NaSn alloys (1998) (27)
Curved TiO2 Nanoparticles in Water: Short (Chemical) and Long (Physical) Range Interfacial Effects (2018) (27)
ENERGETICS OF C20 AND C22 FULLERENE AND NEAR-FULLERENE CARBON CAGES (1997) (27)
Cluster-cluster collisions. II. Cluster molecules — a stable state of matter? (1991) (27)
SW Xα calculations and x-ray photoelectron spectra of molybdenum(II) chloride cluster compounds (1980) (26)
Adsorption of nucleotides on the rutile (110) surface (2010) (26)
Electronic and magnetic properties of DUT-8(Ni). (2015) (26)
Geometric and electronic structure of clusters (1991) (26)
Vibrational signatures of fullerene oxides (1998) (26)
Nanotube Electromechanics beyond Carbon: The Case of WS2. (2015) (26)
Carbon cluster ions in laser-induced plasma (1988) (26)
Nanoseashells and Nanooctahedra of MoS2: Routes to Inorganic Fullerenes (2009) (26)
An isoreticular family of microporous metal-organic frameworks based on zinc and 2-substituted imidazolate-4-amide-5-imidate: syntheses, structures and properties. (2012) (26)
Towards controlled production of specific carbon nanostructures— a theoretical study on structural transformations of graphitic and diamond particles (2001) (25)
Ab initio many-body calculations of static dipole polarizabilities of linear carbon chains and chainlike boron clusters (2002) (25)
Theoretical study of structural, electronic, and optical properties of Zn m Se n clusters (2006) (25)
SrTiO3(001)|LaAlO3(001) multilayers : A density-functional investigation (2006) (25)
Combined SnS@SnS2 double layers: charge transfer and electronic structure (2014) (25)
Simulation of Inorganic Nanotubes (2007) (25)
Electronic and geometric structures of MoxSy and WxSy (x =1, 2, 4; y =1–12) clusters (2006) (25)
Blood oxygen affinity in infancy: the interaction of fetal and adult hemoglobin, oxygen capacity, and red cell hydrogen ion and 2,3-diphosphoglycerate concentration. (1973) (24)
Clusters and Colloids. From Theory to Applications. (1995) (24)
Single- to Triple-Wall WS2 Nanotubes Obtained by High-Power Plasma Ablation of WS2 Multiwall Nanotubes (2014) (24)
Inorganic nanotubes and fullerenes (2001) (24)
Capillary Imbibition of PbI2 Melt by Inorganic and Carbon Nanotubes (2009) (24)
Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: an ab initio density-functional study. (2013) (24)
Electronic structure of titanium disulfide nanostructures: Monolayers, nanostripes, and nanotubes (2005) (24)
Conformational analysis of aqueous BMP-2 using atomistic molecular dynamics simulations. (2011) (24)
Properties of the phosphonic-acid molecule and the proton transfer in the phosphonic-acid dimer (2007) (24)
Hydrogen on and in carbon nanostructures (2004) (23)
Mechanistic understanding of methanol carbonylation: Interfacing homogeneous and heterogeneous catalysis via carbon supported IrLa (2018) (23)
Hydrogen storage in 1D nanotube-like channels metal–organic frameworks: Effects of free volume and heat of adsorption on hydrogen uptake (2009) (23)
Density-functional-based molecular-dynamics simulations of molten salts. (2005) (22)
Performance of DFT for 29Si NMR Chemical Shifts of Silanes (2001) (22)
Porous graphite oxide pillared with tetrapod-shaped molecules (2017) (21)
Conformational and electronic properties of small benzothiadiazole-cored oligomers with aryl flanking units: Thiophene versus Furan (2017) (21)
Structural and Electronic Properties of Helical TiS2 Nanotubes Studied with Objective Molecular Dynamics (2011) (21)
Structures and energetics of dimeric fullerene and fullerene oxide derivatives (1997) (20)
The origin of the measured chemical shift of 129Xe in UiO-66 and UiO-67 revealed by DFT investigations. (2017) (20)
Band structure and cluster calculations of FeAl systems (1979) (20)
Photoelectron and theoretical investigations on bismuth and antimony pentamer anions : Evidence for aromatic structure (1994) (20)
Ab initio molecular dynamics simulation of liquid NaSn alloy (1992) (20)
Cage molecules containing elements of groups V and VI. I. Structure determinations using simulated annealing (1992) (20)
Motif reconstruction in clusters and layers: benchmarks for the Kawska-Zahn approach to model crystal formation. (2010) (20)
Tubular structures of germanium (2001) (20)
Cage molecules containing elements of groups V and VI. II. Molecular dynamics study of P4S3 and P3−7 (1992) (19)
Theoretical studies of atomic cluster - cluster collisions (1996) (19)
Polymorphs of lithium-boron imidazolates: energy landscape and hydrogen storage properties. (2011) (19)
Formation, structure, and polymorphism of novel lowest-dimensional AgI nanoaggregates by encapsulation in carbon nanotubes. (2007) (19)
C36: from dimer to bulk (1999) (19)
C60+ + C60 collisions. I. Multifragmentation and collective flow effects (1994) (19)
On the formation of deuterium fullerene complexes in collisions of C60 with D2 (1994) (19)
Theoretical investigations of homo- and heteronuclear bridged fullerene oligomers (1997) (19)
Multilayered intercalation of 1-octanol into Brodie graphite oxide. (2017) (19)
Theoretical models for hydrogen evolution reaction at combined Mo2C and N – doped graphene (2020) (18)
Screening for high-spin metal organic frameworks (MOFs): density functional theory study on DUT-8(M1,M2) (with Mi = V,…,Cu). (2016) (18)
Physisorption of N2 on graphene platelets: An Ab initio study (2006) (18)
Investigations of hydrogen‐bonded systems: Local density approximation and gradient corrections (1994) (18)
An efficient way to model complex magnetite: Assessment of SCC-DFTB against DFT. (2019) (17)
Unique structural and transport properties of molybdenum chalcohalide nanowires. (2007) (17)
An ab initio two-center tight-binding approach to simulations of complex materials properties (1997) (17)
Stability of silicon carbide structures: from clusters to solid surfaces (1996) (17)
Radial compression studies of WS2 nanotubes in the elastic regimea) (2011) (17)
Structural and electronic properties of small titanium–carbon clusters (metcars) (2001) (17)
Modelling the 13C NMR chemical shifts of C84 fullerenes (2000) (16)
Molecular dynamics simulations of BMP‐2 adsorption on a hydrophobic surface (2010) (16)
Nanotube bundles from calcium disilicide: A density functional theory study (2003) (16)
Effects of reduction of graphene oxide on the hydrogen storage capacities of metal graphene nanocomposite (2020) (16)
Tight-Binding DFT for Molecular Electronics (gDFTB) (2006) (16)
Theoretical investigation of the electronic structure and quantum transport in the graphene–C(111) diamond surface system (2013) (16)
Electronic, structural, and thermal properties of a nanocable consisting of carbon and BN nanotubes (2004) (16)
Hydrogen Physisorption on Carbon Foams upon Inclusion of Many-Body and Quantum Delocalization Effects (2012) (16)
A semi-relativistic variant of the scattered-wave Xα method (1984) (15)
FUSION AND DEEP INELASTIC SCATTERING IN C60–C60 COLLISIONS (1992) (15)
Car-Parrinello treatment for an approximate density-functional theory method. (2007) (15)
A First-Principles Study of Metal-Decorated Graphene Nanoribbons for Hydrogen Storage (2016) (15)
Tuning quantum electron and phonon transport in two-dimensional materials by strain engineering: a Green's function based study. (2017) (15)
Density functional tight binding : Contributions from the American chemical society symposium (2007) (15)
Molecular dynamics study of the mechanical and electronic properties of carbon nanotubes. (2005) (15)
Prediction of huge magnetic anisotropies of transition-metal dimer−benzene complexes (2010) (15)
Water Splitting on Transition Metal Active Sites at TiO2-Based Electrodes: a Small Cluster Study (2016) (15)
Tubular structures from the LnS–TaS2 (Ln = La, Ce, Nd, Ho, Er) and LaSe–TaSe2 misfit layered compounds (2016) (15)
Interlayer Excitons in Transition‐Metal Dichalcogenide Heterobilayers (2019) (14)
Is MoS2 a robust material for 2D electronics? (2014) (14)
Novel Mechanism of Hydrogen Storage in Carbon Nanotubes (2001) (14)
SCF-SW-Xα Calculations on molybdenum—halogen cluster compounds (1980) (14)
Properties of boron carbide nanotubes: Density-functional-based tight-binding calculations (2003) (14)
Aspects of the proton transfer in liquid phosphonic acid. (2009) (14)
One- and two-dimensional inorganic crystals inside inorganic nanotubes (2010) (14)
On the formation of boron—nitrogen clusters in a laser-induced plasma (1988) (14)
Electronic properties of MOS 2 monolayer and related structures (2014) (14)
Transition metal sulfide clusters below the cluster–platelet transition: Theory and experiment (2010) (14)
An Assessment of the Scattered-Wave Cluster Technique by Considering the Internal Conversion of99mTc in the Metal (1980) (13)
Limits of mechanical energy storage and structural changes in twisted carbon nanotube ropes (2013) (13)
C60+ + C60 collisions. II. Mass and angular distributions (1995) (13)
Effective Zeeman splitting in bent lateral heterojunctions of graphene and hexagonal boron nitride: A new mechanism towards half-metallicity (2017) (13)
Nanomechanical energy storage in twisted nanotube ropes. (2012) (13)
Novel experimental methods for assessment of hydrogen storage capacity and modelling of sorption in Cu-BTC (2010) (13)
Water splitting on TiO2‑based electrochemical cells:a small cluster study (2016) (13)
Electronic structure calculations for oxocuprate clusters of the high-Tc superconducting phases (1987) (13)
Structural and energetic parallels between hydrogenated and fluorinated fullerenes: C36X6 (1999) (13)
Two-dimensional and tubular structures of misfit compounds: Structural and electronic properties (2014) (13)
Calculation of the Electronic and Thermal Properties of C/BN Nanotubular Heterostructures (2005) (12)
Li doped Mo6S6 nanowires: elastic and electronic properties (2006) (12)
Theoretical investigation of excited states of C(3). (2004) (12)
Experimental, finite element, and density-functional theory study of inorganic nanotube compression (2011) (12)
The physics of explosive chemistry (2008) (12)
Pyridine Nucleotide Pattern and Reduction Charge in Wheat Seedlings with Special Regard to Different Photosynthetic Conditions (1985) (12)
Electronic structure of Ga 84 cluster compounds (2004) (12)
Influence of quantum effects on the physisorption of molecular hydrogen in model carbon foams. (2011) (12)
EXAFS, XANES, and DFT study of the mixed-valence compound YMn 2 O 5 : Site-selective substitution of Fe for Mn (2010) (11)
Magnetism and the potential energy hypersurfaces of Fe53 to Fe57 (2006) (11)
Electronic structure of niobium-doped molybdenum disulfide nanotubes (2006) (11)
Ab initio simulations of liquid NaSn alloys: Zintl anions and network formation (1995) (11)
Tubular structures of siloxenes (2001) (11)
Toward Activity Origin of Electrocatalytic Hydrogen Evolution Reaction on Carbon-Rich Crystalline Coordination Polymers. (2017) (11)
Ab-initio calculation of exchange interactions in YMnO3 (2008) (11)
Molecular design of fullerene‐based ultralow‐k dielectrics (2006) (11)
Tetrahedral Amorphous Carbon Coatings for Friction Reduction of the Valve Train in Internal Combustion Engines (2014) (11)
Graphite oxide swelling in molten sugar alcohols and their aqueous solutions (2018) (11)
Tunable discotic building blocks for liquid crystalline displays (2004) (11)
Enhanced proton-transfer activity in imidazole@MIL-53(Al) systems revealed by molecular-dynamics simulations (2015) (11)
Twist-driven separation of p-type and n-type dopants in single-crystalline nanowires (2019) (11)
Direct Tensile Tests of Individual WS2 Nanotubes (2005) (11)
Computer simulation of fullerene-based ultra-low k dielectrics (2005) (11)
One-dimensional (Mo3S3)n clusters: Building blocks of clusters materials and ideal nanowires for molecular electronics (2009) (11)
Hopping-Based Charge Transfer in Diketopyrrolopyrrole-Based Donor–Acceptor Polymers: A Theoretical Study (2016) (10)
Thermodynamic stability of borophene, B2O3 and other B1−xOx sheets (2019) (10)
Processing, characterisation and theory of carbon nanotubes containing SiOx-based nanocomposites (2003) (10)
Density functional calculations of structures and ionization energies for heavy group V cluster anions (1995) (10)
Ab initio simulations of liquid systems: concentration dependence of the electric conductivity of NaSn alloys (1996) (10)
Electronic structure of Lanthanum-carbon clusters (1997) (9)
Revealing the hidden correlated electronic structure of strained graphene (2015) (9)
Stability and electronic properties of rhenium sulfide nanotubes (2009) (9)
Charge Transfer Variability in Misfit Layer Compounds: Comparison of SnS‐SnS2 and LaS‐TaS2 (2017) (9)
DFT-LDA molecular dynamics of molecular collision processes (1994) (9)
Energetics of Fullerenes with Octagonal Rings (1997) (9)
Electronic Structure of 4d and 5d Transition Metal Clusters (1978) (9)
Extending the scope of ‘in silico experiments’: Theoretical approaches for the investigation of reaction mechanisms, nucleation events and phase transitions (2007) (9)
Transport properties of functionalized carbon nanotubes: Density-functional Green’s function calculations (2006) (9)
Structural and electronic properties of Mo 6 S 8 clusters deposited on a Au(111) surface investigated with density functional theory (2007) (9)
Molecular Devices Simulations Based on Density Functional Tight-Binding (2002) (9)
Atomistic Simulation Study of the Pressure Induced Incorporation of Helium into C60 (2004) (9)
Electronic and transport properties of contacts between molybdenum sulfide nanowires and gold electrodes (2008) (8)
On the electronic and transport properties of semiconducting carbon nanotubes: the role of $$\hbox {sp}^3$$sp3-defects (2018) (8)
Nanoplatelets made from MoS 2 and WS 2 (2006) (8)
Synthetic 2-D lead tin sulfide nanosheets with tuneable optoelectronic properties from a potentially scalable reaction pathway† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc04018d (2018) (8)
The virtues of magnetism. (2013) (8)
Surface Effects in the Pressure-Induced Structural Transformation of a ZnO Nanorod (2009) (8)
Semi-flexible star-shaped molecules : conformational analysis of nano-segregated mesogens forming columnar liquid-crystal phases (2005) (8)
Impact of incomplete metal coverage on the electrical properties of metal-CNT contacts: A large-scale ab initio study (2016) (7)
Stability and electronic properties of single-walled γ-AlO(OH) nanotubes (2006) (7)
Isomers of C70 Dimer (2001) (7)
MoS₂ decoration by Mo-atoms and the MoS₂-Mo-graphene heterostructure: a theoretical study. (2015) (7)
Hexagon Preserving Carbon Nanofoams (2011) (7)
Electron microscopy, spectroscopy, and first-principles calculations of Cs2O (2005) (7)
The role of homophase and heterophase interfaces on transport properties in structured materials (2009) (7)
Theoretical and experimental investigations of 129Xe NMR chemical shift isotherms in metal-organic frameworks. (2018) (7)
Copolymers of Diketopyrrolopyrrole and Benzothiadiazole: Design and Function from Simulations with Experimental Support (2019) (7)
Helicity in ropes of chiral nanotubes: calculations and observation. (2012) (7)
ELNES study of chemical solution deposited SrO(SrTiO(3))(n) Ruddlesden-Popper films: experiment and simulation. (2009) (7)
Robust electronic and transport properties of graphene break nanojunctions (2011) (7)
Electronic structure analysis of LnBa2Cu3O7−x: Implications on normal and superconductivity (1988) (7)
On the Electronic Structure of Palladium—Hydrogen and Platinum—Hydrogen Systems (1984) (7)
Self-assembly of Mo 6S 8 clusters on the Au(111) surface (2007) (7)
Structure of phosphorus clusters by simulated annealing (1993) (7)
On the electronic structure of non carbon nanotubes (2001) (6)
Structure and dynamics of endohedral fullerenes (2001) (6)
Optical Excitations in CdSe/CdS Core―Shell Nanoparticles (2011) (6)
Semirelativistic SCF-SW-X α Calculations of Uranium Compounds. Electronic Structure and Chemical Bond (1983) (6)
SW-Xα Calculations of Small Niobium Clusters (1978) (6)
SiO2-coated carbon nanotubes: theory and experiment (2002) (6)
AlH(3) and Al(2)H(6): magic clusters with unmagical properties. (2001) (6)
A density-functional-based tight-binding scheme for the study of silicon- oxygen compounds (1997) (6)
Microstructure and low-temperature hydrogen storage capacity of ball-milled graphite (2007) (6)
Structure analysis and property improvements of the computer-simulated fullerene-based ultralow-k dielectrics (2008) (6)
Titanium oxide fullerenes: electronic structure and basic trends in their stability. (2007) (6)
Density-functional study of Mo4S6 on Au(111) (2005) (6)
Percolation approach for atomic and molecular cluster formation (1988) (6)
Density-Functional Methods in Chemistry and Materials Science (1998) (6)
Structure and Stability of GaS Fullerenes and Nanotubes (2017) (5)
Impact of functionalization patterns on the performance of CNTFETs (2014) (5)
Density-functional investigation of gold-coated metallic nanowires (2004) (5)
On the Electronic Shell Structure of Copper Clusters (1987) (5)
Fluxional behaviour of Sc3N in endohedral Sc3N@C80 (2002) (5)
Wrapping carbon nanotubes with DNA: A theoretical study (2005) (5)
Simulation of the structural and thermal properties of tubular nanocrystallites of magnesium oxide (2006) (5)
Two‐Dimensional Phosphorus Carbide Polymorphs: Influence of Structural Motifs on the Band Gap (2018) (5)
Polymorphism in ferroic functional elements (2007) (5)
Mechanical Properties of Individual WS2 Nanotubes (2004) (5)
Graphene nanoflakes - structural and electronic properties (2013) (5)
DFT ×TB − a unified quantum-mechanical hybrid method (2005) (5)
Novel Elongated Molybdenum Sulfide Nanostructures (2005) (5)
Theoretical study on the CH⋯NC hydrogen bond interaction in thiophene-based molecules (2013) (5)
Transport and noise in organic field effect devices (2008) (5)
The Magnetic Shielding Function of Molecules and Pi‐Electron Delocalization (2006) (5)
Inside Cover: Immobilizing Molecular Metal Dithiolene–Diamine Complexes on 2D Metal–Organic Frameworks for Electrocatalytic H2 Production (Chem. Eur. J. 10/2017) (2017) (4)
Functional thiols as repair and doping agents of defective MoS2 monolayers (2018) (4)
Correlated Electronic Structure of the High-Tc Superconductor RE1Ba2Cu3O7-x Phase and Possible Interlayer Pairing (1989) (4)
Theoretical study of structural, electronic, and optical properties of ZnmSen clusters (2006) (4)
13C NMR Patterns of Odd-Numbered C119 Fullerenes (2000) (4)
Molecular dynamics study of the reaction C3 + H 3+ (2005) (4)
Insights into regularity of 2D 3d transition metal monocarbides formation (2020) (4)
Influence of Electric Fields on the Electron Transport in Donor–Acceptor Polymers (2017) (4)
Modelling ferroic functional elements (2007) (4)
A parallel code for a self-consistent charge density functional based tight binding method: Total energy calculations for extended systems (1999) (4)
Semiempirical Methods for the Calculation of NMR Chemical Shifts (2004) (4)
Paramagnetic states of metals and 13C in isolated endohedral fullerenes (1997) (4)
TETT-functionalized TiO2 nanoparticles for DOX loading: a quantum mechanical study at the atomic scale (2020) (3)
Theoretical and mass spectrometric investigations of the formation of calcium fluoride cluster ions (1998) (3)
Current without external bias and diode effect in shuttling transport of nanoshafts (2008) (3)
Torsional Stick-Slip Behavior in WS 2 Nanotubes Supplementary Information (2008) (3)
Photoexcitation in Dimers of Coumarin and 6-Alkylcoumarins (2014) (3)
Dimensionally, morphologically, and thermally induced phase transformations in boron-nitrogen nanowires (2007) (3)
Semirelativistic SCF-SW-Xα calculations of uranium compounds: charge density differences at the uranium nucleus (1983) (3)
Density Functional Theory, Calculations of Potential Energy Surfaces and Reaction Paths (1995) (3)
Twist-induced preferential distribution of dopants in single-crystalline Si nanowires (2019) (3)
Electronic transport properties through thiophenes on switchable domains (2009) (3)
Energetics of C20 and C22 Fullerene and Near‐Fullerene Carbon Cages (1998) (3)
Theoretical study of the propagation barrier of ethylene polymerization with TiR2 (R=OCH3 or CN): The importance of the β-agostic interactions (2006) (3)
Tight‐Binding Density Functional Theory (2004) (3)
Localization of edge states at triangular defects in periodic MoS2 monolayers (2021) (3)
Electronic structure and magic number of alkaline metal clusters (1986) (3)
Orientation dependence of energy absorption and relaxation dynamics of C60 in fs-laser pulses (2013) (3)
Insights into the regularity of the formation of 2D 3d transition metal monocarbides. (2020) (3)
Theoretical studies on the structural and electronic properties of π-stacked cyano-thiophene-based molecules (2013) (3)
Nuclear heavy-ion and atomic cluster-cluster collisions (1992) (3)
Combined IR absorption and modeling study of nanoporous zeolite imidazolate frameworks (ZIFs) filled with hydrogen (2012) (3)
Materials for Lithium Ion Batteries: Challenges for Numerical Simulations (2012) (3)
A comparative analysis of symmetric diketopyrrolopyrrole‐cored small conjugated molecules with aromatic flanks: From geometry to charge transport (2018) (3)
Molecular-dynamics simulations of capillary imbibition of KI melt into MoS2 nanotubes (2010) (3)
Adsorption of Molecular Hydrogen on Nanostructured Surfaces (2014) (3)
Intra‐cage Dynamics in Endohedral Fullerenes (2003) (2)
Unconventional deformation potential and half-metallicity in zigzag nanoribbons of 2D-Xenes. (2020) (2)
Tribological Aspects of Carbon-Based Nanocoatings – Theory and Simulation (2011) (2)
Bacteriorhodopsin: the effect of bilayer thickness on 2D-array formation, and the structural re-alignment of retinal through the photocycle. (1995) (2)
Framework reconstruction between hR8 and cI16 germaniums: A molecular dynamics study (2012) (2)
Exploring the effects of quantum decoherence on the excited-state dynamics of molecular systems (2021) (2)
Electronic structure of Ga84 cluster compounds (2004) (2)
Liquid Flow through Defective Layered Membranes: A Phenomenological Description (2020) (2)
Erratum: Helical Nanotube Structures of MoS2 with Intrinsic Twisting: An Objective Molecular Dynamics Study (Physical Review Letters (2010) 104 (065502) DOI:10.1103/PhysRevLett.104.065502) (2011) (2)
Endohedral rare earth fullerenes—electronic and dynamic properties (1999) (2)
Inorganic Fullerenes and Nanotubes (2010) (2)
Multiscale-modeling of CNTFETs with non-regular defect pattern (2015) (2)
Interfacial Landau levels in bent graphene racetracks (2019) (2)
Electronic structure analysis of LnBa2Cu3O7−x: Implications on normal conductivity and superconductivity (1988) (1)
Quantized Rotational States in Endohedral Fullerenes (2005) (1)
Correction: Electronic and magnetic properties of DUT-8(Ni). (2016) (1)
Solid-State Structures of Small Fullerenes (2010) (1)
Structure And Physical Properties Of Computer‐Simulated Fullerene‐Based Ultralow‐k Dielectric Materials (2007) (1)
Surface-Charge Dependent Orientation of Water at the Interface of a Gold Electrode: A Cluster Study (2018) (1)
Optical Properties of Cadmium Sulfide Clusters. (2003) (1)
Layered Nanostructures – Electronic and Mechanical Properties (2013) (1)
A Theoretical Approach to Functionalization of Carbon Nanotubes (2001) (1)
Back Cover: High resolution TEM study of WS2 nanotubes (Phys. Status Solidi B 11/2011) (2011) (1)
Calculation of 29Si Chemical Shifts Using a Density‐Functional Based Tight‐Binding Scheme (2008) (1)
Hydrogen Storage by Physisorption on Nanostructured Graphite Platelets. (2004) (1)
Optical absorption in molybdenum disulfide nanotubes (2006) (1)
Author ' s personal copy Ab-initio calculation of exchange interactions in YMnO 3 (2008) (1)
Inorganic Sulfide Nanotubes: Mechanical Behavior (2014) (1)
Correction: Synthetic 2-D lead tin sulfide nanosheets with tuneable optoelectronic properties from a potentially scalable reaction pathway (2019) (1)
Quantum Molecular Dynamic Simulation of Proton Conducting Materials (2009) (1)
Hydrogen insertion and extraction mechanism in single-walled carbon nanotubes (2002) (1)
On the electronic and transport properties of semiconducting carbon nanotubes: the role of sp 3 -defects (2018) (1)
Shape of the lead-phthalocyanine (PbPc) molecule and the field-induced switching effect in monoclinic PbPc (1991) (1)
Inorganic nanotubes and fullerenes Structure and properties of hypothetical phosphorus fullerenes (1)
A Hydrogen Storage Mechanism in Single‐Walled Carbon Nanotubes. (2001) (1)
The Effects of Organization, Embedding and Surfactants on the Properties of Cadmium Chalcogenide (CdS, CdSe and CdS/CdSe) Semiconductor Nanoparticles (2005) (0)
SCF‐SW‐Xα CALCULATION OF THE PHOSPHORUS MOLECULE (1978) (0)
Soft X-Ray Spectra of Amorphous Hydrogenated Silicon (1985) (0)
Fullerene-based Carbon Solids, Carbon Foams and Composite Nanotubes (2009) (0)
Surface Energies of Smalln Metal Clusters (1988) (0)
Deformations and nanomechanical energy storage in twisted carbon nanotube ropes (2013) (0)
Molecular dynamics simulations of cluster collisions (1994) (0)
Two-Dimensional Phosphorus Carbide Polymorphs: Influence of Structural Motifs on the Band Gap (Phys. Status Solidi B 10/2018) (2018) (0)
Homonuclear bonds in BN clusters (1999) (0)
Investigation of Crystalline Quartz and Molecular Silicon-Oxygen Compounds with a Simplified LCAO-LDA Method (1995) (0)
N ov 2 01 3 Orientation dependence of energy absorption and relaxation dynamics of C 60 in fs-laser pulses : How round is C 60 ? (2013) (0)
Strain engineering of thermal transport in 2D grain boundaries (2006) (0)
Clar Sextet Theory for low-dimensional carbon nanostructures: an efficient approach based on chemical criteria (2010) (0)
On the theory of charge transfer energies at donor-acceptor interfaces in solar cells (2015) (0)
Discovery of Burstein-Moss shift in Re-doped MoS$_2$ nanoparticles (2013) (0)
Chemistry of the Interaction and Retention of TcVII and TcIV Species at the Fe3O4(001) Surface (2023) (0)
Quantum Master Equation for the study of electronic transport in organic systems (2006) (0)
Insights into magnetite bulk, surface and nanoparticles by first principles (2019) (0)
Charge transfer in misfit layer compounds: the case of SnS–SnS2 and LaS–TaS2 (2018) (0)
Nanoseashells and Nanooctahedra of MoS2: Routes to Inorganic Fullerenes. (2010) (0)
Unusual Properties of Al_2H_6 (2000) (0)
Stacking different two-dimensional materials to fabricate a high mobility transistor (2006) (0)
Density Functional Calculations of Nanotube Bundles from Calcium Disilicide (2003) (0)
Chapter 8:Theoretical Strategies for Functionalisation and Encapsulation of Nanotubes (2011) (0)
LASERS, OPTICS, AND OPTOELECTRONICS 1191 Electro-optic sampling near zero optical transmission point (1999) (0)
AB Initio Molecular Dynamics Simulations of Liquid Alloys: Network Formation, Structure Factors and Electrical Conductivity of NaSn Alloys (1997) (0)
Closed‐Loop Defect States in 2D Materials with Honeycomb Lattice Structure: Molybdenum Disulfide (2021) (0)
Induced Magnetic Fields in Aromatic [n]‐Annulenes — Interpretation of NICS Tensor Components (2004) (0)
Correction: Electronic and magnetic properties of (2016) (0)
Silicon‐Based Nanotubes: A Theoretical Investigation (2007) (0)
PHYS 224-Hydrogen storage in carbon nanostructures (2009) (0)
Simulation of Chemical Vapor Deposition for Graphene using Phase Field Crystal Models (2017) (0)
Isomers of Endohedral Fullerene Sc2@C84 (2005) (0)
14 Molecular Dynamic Simulation of Proton Conducting Materials (2009) (0)
NMR SPECTROSCOPIC STUDIES IN NITROGEN-15-LABELED CHLOROCYCLOPHOSPHAZENES (1979) (0)
Reticular Materials for Hydrogen Storage (2012) (0)
Replicating carbon nanotubes with molybdenum chalcogenide nanowires (2007) (0)
Magnetic properties and valence states of fullerene complexes (1997) (0)
Cage Molecules Containing Elements of Groups V and VI. Part 2. Molecular Dynamics Study of P4S3 and P3- 7. (1992) (0)
SCF-SW-χα CALCULATIONS ON MOLYBDENUM-HALOGEN CLUSTER COMPOUNDS (1980) (0)
HYDROGEN STORAGE IN CARBON NANOSTRUCTURES AND ORGANIC FRAMEWORKS (2011) (0)
Observation of a BursteinMoss Shift in Rhenium-Doped MoS 2 (2013) (0)
Momentum-space indirect interlayer excitons in transition-metal dichalcogenide van der Waals heterostructures (2018) (0)
Synthesis of Osteoinductive Glasses by Immobilization of rhBMP-2 (2010) (0)
Publisher's Note: X-ray investigation, high-resolution electron holography, and density functional calculations of single-crystalline BaTiO{sub 3} [Phys. Rev. B 74, 134116 (2006)] (2006) (0)
Carbon nanostructures for hydrogen storage (2006) (0)
Novel Computational Approaches to Li Diffusion and Electron Transport for High Capacity Battery Materials (2011) (0)
Computer Simulations for the Structure and Dynamics of Large Molecules, Clusters and Solids (1996) (0)
2 Simulation of Inorganic Nanotubes (0)
Theoretical investigations on the transport properties of graphene nanoribbons (2011) (0)
LCAO-Xa Calculations of Transition Metal Clusters (1985) (0)
DFT Investigation of Nanostructured Binary Compounds (2004) (0)
Computer Simulations of Molecular Collision Processes (1994) (0)
Cage Molecules Containing Elements of Groups V and VI. Part 1. Structure Determinations Using Simulated Annealing (1992) (0)
Cover Picture: The Induced Magnetic Field in Cyclic Molecules (Chem. Eur. J. 17/2004) (2004) (0)
TRENDS IN THE PROPERTIES OF SELECTED METAL-ORGANIC FRAMEWORK STRUCTURES: A THEORETICAL STUDY (2009) (0)
Tuning quantum electron and phonon transport in 2D materials by strain engineering: a Green’s function based study (2006) (0)
Antibody Purification Using Protein Hydrogels (2017) (0)
Imogolite Nanotubes: Stability, Electronic, and Mechanical (2007) (0)
Inside Cover: MoS2 Hybrid Nanostructures: From Octahedral to Quasi‐Spherical Shells within Individual Nanoparticles (Angew. Chem. Int. Ed. 8/2011) (2011) (0)
Use of carbon nanotubes as an insulating layer material for microelectronics (2006) (0)
1 Hydrogen adsorption by perforated graphene (2015) (0)
Investigations of adsorption behaviour of polybutadiene epoxide on solid surfaces (1991) (0)
Transport properties of MoS2 nanoribbons: edge priority (2012) (0)
On the sidewall functionalization of carbon nanotubes (2002) (0)
Molecular dynamics simulations of cluster-cluster collisions (1992) (0)
Semi-flexible star-shaped molecules: conformational analysis of nano-segregated mesogens forming columnar liquid-crystal phases (2005) (0)
METAL CHALCOGENIDE NANOTUBES - STRUCTURE AND ELECTRONIC PROPERTIES (2000) (0)
Release of molecular hydrogen in the borazine-cyclotriborazane cycle (2006) (0)
Structures and Energetics of Dimeric Fullerene and Fullerene Oxide Derivatives. (1998) (0)
OXYGEN-17 NMR SPECTROSCOPIC STUDIES ON PHOSPHORYL COMPOUNDS. 1. PHOSPHORYL CHLORIDE, OPCL2X, OPCLX2, OPX3 (X = F, BR, OCH3, N(CH3)2) (1976) (0)
Innentitelbild: MoS2 Hybrid Nanostructures: From Octahedral to Quasi‐Spherical Shells within Individual Nanoparticles (Angew. Chem. 8/2011) (2011) (0)
A novel route towards carbon-based materials for hydrogen storage : packings of carbon nanotubes and graphene – carbon nanotubes composites (2014) (0)
Carbon clusters—size effects of properties (2008) (0)

This paper list is powered by the following services:

What Schools Are Affiliated With Gotthard Seifert?

Gotthard Seifert is affiliated with the following schools:

University of Technology, Jamaica
University of Geneva
Samara University
University of the Witwatersrand
Technical University of Berlin
TU Dresden
University of Exeter
University of Konstanz
University of Stuttgart
National University of Science and Technology MISiS

Gotthard Seifert's Academic­Influence.com Rankings

Why Is Gotthard Seifert Influential?

Gotthard Seifert's Published Works

Published Works

What Schools Are Affiliated With Gotthard Seifert?

Gotthard Seifert's AcademicInfluence.com Rankings