UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 166

Sortiert nach

Modern Charge-Density Analysis

1. Aufl., 2012

Link zum Volltext

Verfügbarkeit prüfen

Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu3(BTC)2 and Zn3(BTC)2

Journal of the American Chemical Society, 2019-06, Vol.141 (23), p.9382-9390

2019

Link zum Volltext

Verfügbarkeit prüfen

Quantum Crystallography: Expectations vs Reality

Macchi, Piero

2022

Link zum Volltext

Verfügbarkeit prüfen

Pitfalls in the location of guest molecules in metal-organic frameworks

Nature communications, 2022-09, Vol.13 (1), p.5288-5288, Article 5288

2022

Link zum Volltext

Verfügbarkeit prüfen

Quantum Crystallography in the Last Decade: Developments and Outlooks

Crystals (Basel), 2020-06, Vol.10 (6), p.473

2020

Link zum Volltext

Verfügbarkeit prüfen

Putting pressure on aromaticity along with in situ experimental electron density of a molecular crystal

Nature communications, 2016-03, Vol.7 (1), p.10901-10901, Article 10901

2016

Link zum Volltext

Verfügbarkeit prüfen

Quantum Crystallography

Macchi, Piero

1, 2022

Link zum Volltext

Verfügbarkeit prüfen

The connubium between crystallography and quantum mechanics

Crystallography reviews, 2020-10, Vol.26 (4), p.209-268

Macchi, Piero

2020

Link zum Volltext

Verfügbarkeit prüfen

Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO 3 ) 2 (pyz) 3

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (3), p.1014-1018

2019

Link zum Volltext

Verfügbarkeit prüfen

Six questions on topology in theoretical chemistry

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

2015

Link zum Volltext

Verfügbarkeit prüfen

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

IUCrJ, 2018-01, Vol.5 (Pt 1), p.32-44

2018

Link zum Volltext

Verfügbarkeit prüfen

The Dielectric Behavior of Protected HKUST-1

Chemistry an international journal, 2022-06, Vol.4 (2), p.576-591

2022

Link zum Volltext

Verfügbarkeit prüfen

Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets

Journal of the American Chemical Society, 2016-02, Vol.138 (7), p.2280-2291

2016

Link zum Volltext

Verfügbarkeit prüfen

Extending Libraries of Extremely Localized Molecular Orbitals to Metal Organic Frameworks: A Preliminary Investigation

Crystals (Basel), 2021-02, Vol.11 (2), p.207

2021

Link zum Volltext

Verfügbarkeit prüfen

Unexpected isomerism in "[Pd(2,9-dimethylphenanthroline)X2]" (X = Cl, Br, I) complexes: a neutral and an ionic form exist

Dalton transactions : an international journal of inorganic chemistry, 2012-04, Vol.41 (13), p.3648-3658

2012

Link zum Volltext

Verfügbarkeit prüfen

Comments on 'Hydrogen bonds in crystalline d-alanine: diffraction and spectroscopic evidence for differences between enantiomers'

IUCrJ, 2018-09, Vol.5 (Pt 5), p.654-657

2018

Link zum Volltext

Verfügbarkeit prüfen

J(Si,H) Coupling Constants of Activated Si–H Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-09, Vol.121 (38), p.7219-7235

2017

Link zum Volltext

Verfügbarkeit prüfen

Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

IUCrJ, 2017-03, Vol.4 (Pt 2), p.136-146

2017

Link zum Volltext

Verfügbarkeit prüfen

The Role of Hydrogen Bond in Designing Molecular Optical Materials

Crystals (Basel), 2016-04, Vol.6 (4), p.43

2016

Link zum Volltext

Verfügbarkeit prüfen

Experimental Electron Density in a Transition Metal Dimer: Metal−Metal and Metal−Ligand Bonds

Journal of the American Chemical Society, 1998-12, Vol.120 (51), p.13429-13435

1998

Link zum Volltext

Verfügbarkeit prüfen

Electron Density of Semi-Bridging Carbonyls. Metamorphosis of CO Ligands Observed via Experimental and Theoretical Investigations on [FeCo(CO)8]

Journal of the American Chemical Society, 2002-11, Vol.124 (47), p.14173-14184

2002

Link zum Volltext

Verfügbarkeit prüfen

Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives: l‑Histidinium Hydrogen Oxalate

Crystal growth & design, 2013-07, Vol.13 (7), p.2995-3010

2013

Link zum Volltext

Verfügbarkeit prüfen

Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges

IUCrJ, 2015-07, Vol.2 (Pt 4), p.441-451

2015

Link zum Volltext

Verfügbarkeit prüfen

Slow Relaxation of the Magnetization in Non-Linear Optical Active Layered Mixed Metal Oxalate Chains

Inorganic chemistry, 2010-12, Vol.49 (23), p.10894-10901

2010

Link zum Volltext

Verfügbarkeit prüfen

Experimental and Computational Study on the Effects of High Pressure on the Crystal Structure of Boron Nitrilotriacetate

Crystal growth & design, 2023-04, Vol.23 (4), p.2745-2754

2023

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 166

Suche als RSS-Feed

Aktive Filter

KollektionWiley Online Library

Zeitschrift / SerieChemical Communications

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(144)
Mit Volltextzugriff
(165)

Publikationsform

Artikel
(147)
Buchkapitel
(14)
Bücher
(5)

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(107)
Physical Sciences
(88)
Chemistry
(79)
Chemistry, Multidisciplinary
(30)
Materials Science
(27)
Crystallography
(26)
Chemistry, Inorganic & Nuclear
(25)
Technology
(25)
Physics
(23)
Materials Science, Multidisciplinary
(22)
Chemistry, Physical
(19)
Life Sciences & Biomedicine
(17)
Electron Density
(11)
Chemistry, Organic
(10)
Humans
(10)
Physics, Atomic, Molecular & Chemical
(9)
Male
(8)
Science & Technology - Other Topics
(8)
Biochemistry
(7)
Chemical Sciences
(7)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

Modern Charge-Density Analysis

Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu3(BTC)2 and Zn3(BTC)2

Quantum Crystallography: Expectations vs Reality

Pitfalls in the location of guest molecules in metal-organic frameworks

Quantum Crystallography in the Last Decade: Developments and Outlooks

Putting pressure on aromaticity along with in situ experimental electron density of a molecular crystal

Quantum Crystallography

The connubium between crystallography and quantum mechanics

Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO 3 ) 2 (pyz) 3

Six questions on topology in theoretical chemistry

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

The Dielectric Behavior of Protected HKUST-1

Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets

Extending Libraries of Extremely Localized Molecular Orbitals to Metal Organic Frameworks: A Preliminary Investigation

Unexpected isomerism in "[Pd(2,9-dimethylphenanthroline)X2]" (X = Cl, Br, I) complexes: a neutral and an ionic form exist

Comments on 'Hydrogen bonds in crystalline d-alanine: diffraction and spectroscopic evidence for differences between enantiomers'

J(Si,H) Coupling Constants of Activated Si–H Bonds

Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

The Role of Hydrogen Bond in Designing Molecular Optical Materials

Experimental Electron Density in a Transition Metal Dimer: Metal−Metal and Metal−Ligand Bonds

Electron Density of Semi-Bridging Carbonyls. Metamorphosis of CO Ligands Observed via Experimental and Theoretical Investigations on [FeCo(CO)8]

Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives: l‑Histidinium Hydrogen Oxalate

Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges

Slow Relaxation of the Magnetization in Non-Linear Optical Active Layered Mixed Metal Oxalate Chains

Experimental and Computational Study on the Effects of High Pressure on the Crystal Structure of Boron Nitrilotriacetate

Aktive Filter

Suchergebnisse filtern