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Synthesis, structure, and spectroscopic properties of copper(<scp>II</scp>) compounds containing nitrogen–sulphur donor ligands; the crystal and molecular structure of aqua[1,7-bis(N-methylbenzimidazol-2′-yl)-2,6-dithiaheptane]copper(<scp>II</scp>) perchlorate
Article
Article
Synthesis, structure, and spectroscopic properties of copper(<scp>II</scp>) compounds containing nitrogen–sulphur donor ligands; the crystal and molecular structure of aqua[1,7-bis(N-methylbenzimidazol-2′-yl)-2,6-dithiaheptane]copper(<scp>II</scp>) perchlorate
Anthony W. Addison; T. Nageswara Rao; J. Reedijk; Jacobus Van Rijn; G. C. Verschoor · Journal of the Chemical Society Dalton Transactions · 1984
The linear quadridentate N2S2 donor ligand 1,7-bis(N-methylbenzimidazol-2′-yl)-2,6-dithiaheptane (bmdhp) forms mono- and di-hydrate 1 : 1 copper(II) complexes which are significantly more stable toward autoreduction th...
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<i>MolProbity</i>: all-atom structure validation for macromolecular crystallography
Article
Article
<i>MolProbity</i>: all-atom structure validation for macromolecular crystallography
Vincent B. Chen; W.B. Arendall; Jeffrey J. Headd; D.A. Keedy; Robert M. Immormino; Gary J. Kapral; Laura W. Murray; Jane S. Richardson · Acta Crystallographica Section D Biological Crystallography · 2009
MolProbity is a structure-validation web service that provides broad-spectrum solidly based evaluation of model quality at both the global and local levels for both proteins and nucleic acids. It relies heavily on the po...
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A Global Geometric Framework for Nonlinear Dimensionality Reduction
Article
Article
A Global Geometric Framework for Nonlinear Dimensionality Reduction
Joshua B. Tenenbaum; Vin de Silva; John Langford · Science · 2000
Scientists working with large volumes of high-dimensional data, such as global climate patterns, stellar spectra, or human gene distributions, regularly confront the problem of dimensionality reduction: finding meaningfu...
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Geant4 developments and applications
Article
Article
Geant4 developments and applications
John E. Allison; K. Amako; J. Apostolakis; H. M. Araújo; P. Arce Dubois; M. Asai; Guy Barrand; R. Capra · IEEE Transactions on Nuclear Science · 2006
Geant4 is a software toolkit for the simulation of the passage of particles through matter. It is used by a large number of experiments and projects in a variety of application domains, including high energy physics, ast...
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Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
Article
Article
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
Richard A. Friesner; Jay L. Banks; Robert B. Murphy; Thomas A. Halgren; Jasna Klicić; Daniel T. Mainz; Matthew P. Repasky; Eric H. Knoll · Journal of Medicinal Chemistry · 2004
Unlike other methods for docking ligands to the rigid 3D structure of a known protein receptor, Glide approximates a complete systematic search of the conformational, orientational, and positional space of the docked lig...
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NeRF
Article
Article
NeRF
Ben Mildenhall; Pratul P. Srinivasan; Matthew Tancik; Jonathan T. Barron; Ravi Ramamoorthi; Ren Ng · Communications of the ACM · 2021
We present a method that achieves state-of-the-art results for synthesizing novel views of complex scenes by optimizing an underlying continuous volumetric scene function using a sparse set of input views. Our algorithm ...
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On the identification of a vortex
Article
Article
On the identification of a vortex
Jinhee Jeong; Fazle Hussain · Journal of Fluid Mechanics · 1995
Considerable confusion surrounds the longstanding question of what constitutes a vortex, especially in a turbulent flow. This question, frequently misunderstood as academic, has recently acquired particular significance ...
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P<scp>ACKMOL</scp>: A package for building initial configurations for molecular dynamics simulations
Article
Article
P<scp>ACKMOL</scp>: A package for building initial configurations for molecular dynamics simulations
Leandro Martı́nez; Ricardo Andrade; Ernesto G. Birgin; J. M. Martı́nez · Journal of Computational Chemistry · 2009
Adequate initial configurations for molecular dynamics simulations consist of arrangements of molecules distributed in space in such a way to approximately represent the system's overall structure. In order that the simu...
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ReaxFF: A Reactive Force Field for Hydrocarbons
Article
Article
ReaxFF: A Reactive Force Field for Hydrocarbons
Adri C. T. van Duin; Siddharth Dasgupta; François Lorant; William A. Goddard · The Journal of Physical Chemistry A · 2001
To make practical the molecular dynamics simulation of large scale reactive chemical systems (1000s of atoms), we developed ReaxFF, a force field for reactive systems. ReaxFF uses a general relationship between bond dist...
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Semiconductor Clusters, Nanocrystals, and Quantum Dots
Article
Article
Semiconductor Clusters, Nanocrystals, and Quantum Dots
A. Paul Alivisatos · Science · 1996
Current research into semiconductor clusters is focused on the properties of quantum dots—fragments of semiconductor consisting of hundreds to many thousands of atoms—with the bulk bonding geometry and with surface s...
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The Chemistry and Applications of Metal-Organic Frameworks
Article
Article
The Chemistry and Applications of Metal-Organic Frameworks
Hiroyasu Furukawa; Kyle E. Cordova; M. O’Keeffe; Omar M. Yaghi · Science · 2013
Background Metal-organic frameworks (MOFs) are made by linking inorganic and organic units by strong bonds (reticular synthesis). The flexibility with which the constituents’ geometry, size, and functionality can be va...
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Complex Manifolds
Article
Article
Complex Manifolds
De Gruyter; Poland · ISSN 2300-7443
Subjects / keywords: hermitian geometry, kähler and hyperkähler geometry, calabi-yau metrics, holomorphic dynamics, almost complex geometry; Science: Mathematics
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Cubo
Article
Article
Cubo
Universidad de La Frontera; Chile · ISSN 0716-7776
Subjects / keywords: pure mathematics, applied mathematics, differential equations, complex geometry, applied analysis, differential geometry; Science: Mathematics
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Open Mathematics
Article
Article
Open Mathematics
De Gruyter; Poland · ISSN 2391-5455
Subjects / keywords: pure mathematics, differential equations, differential geometry, topology, functional analysis, complex analysis; Science: Mathematics
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Žurnal matematičeskoj fiziki, analiza, geometrii
Article
Article
Žurnal matematičeskoj fiziki, analiza, geometrii
B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine; Ukraine · ISSN 1812-9471
Subjects / keywords: mathematical physics, complex analysis, differential equations, spectral theory, geometry, functional analysis; Science: Mathematics
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Дифференциальная геометрия многообразий фигур
Article
Article
Дифференциальная геометрия многообразий фигур
Immanuel Kant Baltic Federal University; Russian Federation · ISSN 0321-4796
Subjects / keywords: differential geometry, geometry, spaces of affine and projective connections, methods of studying immersed manifolds, elementary geometry, manifolds with a complex or almost complex structure; Science: Mathematics
Idioma Russian, English
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Современная математика: Фундаментальные направления
Article
Article
Современная математика: Фундаментальные направления
Peoples’ Friendship University of Russia (RUDN University); Russian Federation · ISSN 2413-3639
Subjects / keywords: ordinary differential equations, partial differential equations, mathematical physics, real and functional analysis, complex analysis, geometry; Science: Mathematics
Idioma English, Russian
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Principles of Algebraic Geometry
Book
Book
Principles of Algebraic Geometry
Phillip Griffiths; Joseph Harris · OpenAlex · 1994
A comprehensive, self-contained treatment presenting general results of the theory. Establishes a geometric intuition and a working facility with specific geometric practices. Emphasizes applications through the study of...
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<i>VESTA 3</i> for three-dimensional visualization of crystal, volumetric and morphology data
Article
Article
<i>VESTA 3</i> for three-dimensional visualization of crystal, volumetric and morphology data
Koichi Momma; Fujio Izumi · Journal of Applied Crystallography · 2011
VESTA is a three-dimensional visualization system for crystallographic studies and electronic state calculations. It has been upgraded to the latest version, VESTA 3 , implementing new features including drawing the exte...
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A method for registration of 3-D shapes
Article
Article
A method for registration of 3-D shapes
Paul J. Besl; Neil David McKay · IEEE Transactions on Pattern Analysis and Machine Intelligence · 1992
The authors describe a general-purpose, representation-independent method for the accurate and computationally efficient registration of 3-D shapes including free-form curves and surfaces. The method handles the full six...
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Declining Morbidity and Mortality among Patients with Advanced Human Immunodeficiency Virus Infection
Article
Article
Declining Morbidity and Mortality among Patients with Advanced Human Immunodeficiency Virus Infection
Frank J. Palella; Kathleen M. Delaney; Anne C. Moorman; Mark O. Loveless; Jack Fuhrer; Glen A. Satten; Diane Aschman; Scott D. Holmberg · New England Journal of Medicine · 1998
BACKGROUND AND METHODS: National surveillance data show recent, marked reductions in morbidity and mortality associated with the acquired immunodeficiency syndrome (AIDS). To evaluate these declines, we analyzed data on ...
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Distributed Optimization and Statistical Learning via the Alternating Direction Method of Multipliers
Book
Book
Distributed Optimization and Statistical Learning via the Alternating Direction Method of Multipliers
Stephen Boyd · now publishers, Inc. eBooks · 2010
Many problems of recent interest in statistics and machine learning can be posed in the framework of convex optimization. Due to the explosion in size and complexity of modern datasets, it is increasingly important to be...
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Global, regional, and national incidence, prevalence, and years lived with disability for 310 diseases and injuries, 1990–2015: a systematic analysis for the Global Burden of Disease Study 2015
Text / resource
Text / resource
Global, regional, and national incidence, prevalence, and years lived with disability for 310 diseases and injuries, 1990–2015: a systematic analysis for the Global Burden of Disease Study 2015
Theo Vos; Christine A. Allen; Megha Arora; Ryan M Barber; Zulfiqar A Bhutta; Alexandria Brown; Austin Carter; Daniel Casey · The Lancet · 2016
BACKGROUND: Non-fatal outcomes of disease and injury increasingly detract from the ability of the world's population to live in full health, a trend largely attributable to an epidemiological transition in many countries...
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Global, regional, and national incidence, prevalence, and years lived with disability for 354 diseases and injuries for 195 countries and territories, 1990–2017: a systematic analysis for the Global Burden of Disease Study 2017
Article
Article
Global, regional, and national incidence, prevalence, and years lived with disability for 354 diseases and injuries for 195 countries and territories, 1990–2017: a systematic analysis for the Global Burden of Disease Study 2017
Spencer L James; Degu Abate; Kalkidan Hassen Abate; Solomón Mequanente Abay; Cristiana Abbafati; Nooshin Abbasi; Hedayat Abbastabar; Foad Abd-Allah · The Lancet · 2018
BACKGROUND: The Global Burden of Diseases, Injuries, and Risk Factors Study 2017 (GBD 2017) includes a comprehensive assessment of incidence, prevalence, and years lived with disability (YLDs) for 354 causes in 195 count...
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