UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 591

Sortiert nach

Modern Charge-Density Analysis

1. Aufl., 2012

Volltextzugriff (PDF)

The Bologna-Barcelona axis between Criminal Law Dogmatics and Critical Sociology of punitive control. Hidden Continuities and Apparent Overcomings

Crítica penal y poder, 2023-11 (25)

Gatti, Carlo

2023

Volltextzugriff (PDF)

Policing the poor through space: The fil rouge from criminal cartography to geospatial predictive policing

Oñati socio-legal series, 2022-12, Vol.12 (6), p.1733-1758

Gatti, Carlo

2022

Volltextzugriff (PDF)

A Quantum‐Mechanical Map for Bonding and Properties in Solids

Advanced materials (Weinheim), 2019-01, Vol.31 (3), p.e1806280-n/a

2019

Volltextzugriff (PDF)

Non-covalent interaction via the reduced density gradient: Independent atom model vs experimental multipolar electron densities

Computational and theoretical chemistry, 2012-10, Vol.998, p.148-163

2012

Volltextzugriff (PDF)

Revealing Non-covalent Interactions in Molecular Crystals through Their Experimental Electron Densities

Chemistry : a European journal, 2012-11, Vol.18 (48), p.15523-15536

2012

Volltextzugriff (PDF)

Metal-Metal Bond in the Light of Pauling's Rules

Molecules (Basel, Switzerland), 2021-01, Vol.26 (2), p.304

2021

Volltextzugriff (PDF)

Ionic high-pressure form of elemental boron

Nature, 2009-02, Vol.457 (7231), p.863-867

2009

Volltextzugriff (PDF)

Redox Potential and Crystal Chemistry of Hexanuclear Cluster Compounds

Molecules (Basel, Switzerland), 2021-05, Vol.26 (11), p.3069

2021

Volltextzugriff (PDF)

Spin Density Topology

Molecules (Basel, Switzerland), 2020-08, Vol.25 (15), p.3537

2020

Volltextzugriff (PDF)

Nine questions on energy decomposition analysis

Journal of computational chemistry, 2019-10, Vol.40 (26), p.2248-2283

2019

Volltextzugriff (PDF)

Halogen bond in separation science: A critical analysis across experimental and theoretical results

Journal of Chromatography A, 2020-04, Vol.1616, p.460788, Article 460788

2020

Volltextzugriff (PDF)

Sobre la teoría materialista del castigo: Una réplica a la 'tesis de la heterogeneidad interpretativa'

Crítica penal y poder, 2023-05 (24)

2023

Volltextzugriff (PDF)

Quantum Crystallography: Current Developments and Future Perspectives

Chemistry : a European journal, 2018-08, Vol.24 (43), p.10881-10905

2018

Volltextzugriff (PDF)

Topology of the Electron Density and of Its Laplacian from Periodic LCAO Calculations on f -Electron Materials: The Case of Cesium Uranyl Chloride

Molecules (Basel, Switzerland), 2021-07, Vol.26 (14), p.4227

2021

Volltextzugriff (PDF)

NCImilano: an electron-density-based code for the study of noncovalent interactions

Journal of applied crystallography, 2013-10, Vol.46 (5), p.1513-1517

2013

Volltextzugriff (PDF)

Factors Impacting σ- and π-Hole Regions as Revealed by the Electrostatic Potential and Its Source Function Reconstruction: The Case of 4,4'-Bipyridine Derivatives

Molecules (Basel, Switzerland), 2020-09, Vol.25 (19), p.4409

2020

Volltextzugriff (PDF)

Stability of xenon oxides at high pressures

Nature chemistry, 2013-01, Vol.5 (1), p.61

2013

Volltextzugriff (PDF)

Bond Paths as Privileged Exchange Channels

Chemistry : a European journal, 2007-01, Vol.13 (33), p.9362-9371

2007

Volltextzugriff (PDF)

Expression and interactions of stereochemically active lone pairs and their relation to structural distortions and thermal conductivity

IUCrJ, 2020-05, Vol.7 (Pt 3), p.480-489

2020

Volltextzugriff (PDF)

Enantioseparation of 5,5'-Dibromo-2,2'-Dichloro-3-Selanyl-4,4'-Bipyridines on Polysaccharide-Based Chiral Stationary Phases: Exploring Chalcogen Bonds in Liquid-Phase Chromatography

Molecules (Basel, Switzerland), 2021-01, Vol.26 (1), p.221

2021

Volltextzugriff (PDF)

Testing the Concept of Hypervalency: Charge Density Analysis of K2SO4

Inorganic chemistry, 2012-08, Vol.51 (15), p.8607-8616

2012

Volltextzugriff (PDF)

Intermolecular Recognition of the Antimalarial Drug Chloroquine: A Quantum Theory of Atoms in Molecules–Density Functional Theory Investigation of the Hydrated Dihydrogen Phosphate Salt from the 103 K X‑ray Structure

Crystal growth & design, 2016-10, Vol.16 (10), p.6043-6054

2016

Volltextzugriff (PDF)

The role of exchange-correlation functional on the description of multiferroic properties using density functional theory: the ATiO3 (A = Mn, Fe, Ni) case study

RSC advances, 2016, Vol.6 (103), p.101216-101225

2016

Volltextzugriff (PDF)

Six questions on topology in theoretical chemistry

Computational and theoretical chemistry, 2015-02, Vol.1053, p.2-16

2015

Volltextzugriff (PDF)

1 – 25 von 591

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(477)
Mit Volltextzugriff
(543)

Publikationsform

2 weitere anzeigen...

Weniger anzeigen...

Sprache

2 weitere anzeigen...

Weniger anzeigen...

Erscheinungsjahr

n.n

Thema

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(3)
... seit 90 Tagen
(7)

Menü

Weitere Dienste

Einstellungen

Modern Charge-Density Analysis

The Bologna-Barcelona axis between Criminal Law Dogmatics and Critical Sociology of punitive control. Hidden Continuities and Apparent Overcomings

Policing the poor through space: The fil rouge from criminal cartography to geospatial predictive policing

A Quantum‐Mechanical Map for Bonding and Properties in Solids

Non-covalent interaction via the reduced density gradient: Independent atom model vs experimental multipolar electron densities

Revealing Non-covalent Interactions in Molecular Crystals through Their Experimental Electron Densities

Metal-Metal Bond in the Light of Pauling's Rules

Ionic high-pressure form of elemental boron

Redox Potential and Crystal Chemistry of Hexanuclear Cluster Compounds

Spin Density Topology

Nine questions on energy decomposition analysis

Halogen bond in separation science: A critical analysis across experimental and theoretical results

Sobre la teoría materialista del castigo: Una réplica a la 'tesis de la heterogeneidad interpretativa'

Quantum Crystallography: Current Developments and Future Perspectives

Topology of the Electron Density and of Its Laplacian from Periodic LCAO Calculations on f -Electron Materials: The Case of Cesium Uranyl Chloride

NCImilano: an electron-density-based code for the study of noncovalent interactions

Factors Impacting σ- and π-Hole Regions as Revealed by the Electrostatic Potential and Its Source Function Reconstruction: The Case of 4,4'-Bipyridine Derivatives

Stability of xenon oxides at high pressures

Bond Paths as Privileged Exchange Channels

Expression and interactions of stereochemically active lone pairs and their relation to structural distortions and thermal conductivity

Enantioseparation of 5,5'-Dibromo-2,2'-Dichloro-3-Selanyl-4,4'-Bipyridines on Polysaccharide-Based Chiral Stationary Phases: Exploring Chalcogen Bonds in Liquid-Phase Chromatography

Testing the Concept of Hypervalency: Charge Density Analysis of K2SO4

Intermolecular Recognition of the Antimalarial Drug Chloroquine: A Quantum Theory of Atoms in Molecules–Density Functional Theory Investigation of the Hydrated Dihydrogen Phosphate Salt from the 103 K X‑ray Structure

The role of exchange-correlation functional on the description of multiferroic properties using density functional theory: the ATiO3 (A = Mn, Fe, Ni) case study

Six questions on topology in theoretical chemistry

Suchergebnisse filtern