UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 237

Sortiert nach

A unified set of experimental organometallic data used to evaluate modern theoretical methods

Dalton transactions : an international journal of inorganic chemistry, 2016-01, Vol.45 (35), p.13766-13778

2016

Volltextzugriff (PDF)

Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed Nanoclusters

Journal of chemical information and modeling, 2023-10, Vol.63 (20), p.6192-6197

2023

Volltextzugriff (PDF)

Physical Nature of Substituent Effects in XH/π Interactions

Journal of chemical theory and computation, 2012-09, Vol.8 (9), p.3167-3174

2012

Volltextzugriff (PDF)

Substituent Effects on Non-Covalent Interactions with Aromatic Rings: Insights from Computational Chemistry

Chemphyschem, 2011-12, Vol.12 (17), p.3116-3130

2011

Volltextzugriff (PDF)

Nickel Bis(diselenolene) as a Catalyst for Olefin Purification

Inorganic chemistry, 2016-10, Vol.55 (20), p.10182-10191

2016

Volltextzugriff (PDF)

Thermal and Photochemical Reactivity of Manganese Tricarbonyl and Tetracarbonyl Complexes with a Bulky Diazabutadiene Ligand

Inorganic chemistry, 2014-04, Vol.53 (8), p.4081-4088

2014

Volltextzugriff (PDF)

Mechanism of Ethylene Addition to Nickel Bis(oxothiolene) and Nickel Bis(dioxolene) Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-09, Vol.120 (38), p.7561-7568

2016

Volltextzugriff (PDF)

Aromatic Interactions Modulate the 5′-Base Selectivity of the DNA-Binding Autoantibody ED-10

The journal of physical chemistry. B, 2014-05, Vol.118 (21), p.5653-5659

2014

Volltextzugriff (PDF)

Rice GIs of Kerala: Gap in Desired and Achieved Outcomes

Journal of intellectual property rights, 2021-03, Vol.26 (2), p.83

2021

Volltextzugriff (PDF)

Broad Transferability of Substituent Effects in π‑Stacking Interactions Provides New Insights into Their Origin

Journal of chemical theory and computation, 2013-08, Vol.9 (8), p.3479-3490

2013

Volltextzugriff (PDF)

Deep reinforcement learning for predicting kinetic pathways to surface reconstruction in a ternary alloy

Machine learning: science and technology, 2021-12, Vol.2 (4), p.45018

2021

Volltextzugriff (PDF)

Agricultural Innovation and the Protection of Traditional Rice Varieties: Kerala a Case Study

Frontiers in sustainable food systems, 2020-01, Vol.3

2020

Volltextzugriff (PDF)

Computational investigation of cobalt and copper bis (oxothiolene) complexes as an alternative for olefin purification

Journal of molecular modeling, 2020-07, Vol.26 (8), p.205-205, Article 205

2020

Volltextzugriff (PDF)

Geographical indications as a strategy for market enhancement‐lessons from rice GIs in Kerala

The Journal of world intellectual property, 2021-07, Vol.24 (3-4), p.221-236

2021

Volltextzugriff (PDF)

Carbohydrate―aromatic π interactions: a test of density functionals and the DFT-D method

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (18), p.3411-3416

2009

Volltextzugriff (PDF)

Modelling the binding of HIV-reverse transcriptase and nevirapine: an assessment of quantum mechanical and force field approaches and predictions of the effect of mutations on binding

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (26), p.7117-7125

2010

Volltextzugriff (PDF)

Iron(0) mediated C-H activation of 1-hexyne: a mechanistic study using time-resolved infrared spectroscopy

Dalton transactions : an international journal of inorganic chemistry, 2016, Vol.45 (31), p.12292-12296

2016

Volltextzugriff (PDF)

Insights into the Activity and Specificity of Trypanosoma cruzi trans-Sialidase from Molecular Dynamics Simulations

Biochemistry (Easton), 2013-05, Vol.52 (21), p.3740-3751

2013

Volltextzugriff (PDF)

Carbohydrate-protein recognition probed by density functional theory and ab initio calculations including dispersive interactions

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (43), p.6500-6508

2008

Volltextzugriff (PDF)

A mechanism for the addition of ethylene to nickel bis-dithiolene

International journal of quantum chemistry, 2013-06, Vol.113 (11), p.1621-1625

2013

Volltextzugriff (PDF)

The interaction of carbohydrates and amino acids with aromatic systems studied by density functional and semi-empirical molecular orbital calculations with dispersion corrections

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (19), p.2767-2774

2008

Volltextzugriff (PDF)

Time-Resolved Infrared Spectroscopy Studies of Olefin Binding in Photogenerated CpRu(CO)X (X = Cl, I) Transients

Organometallics, 2012-05, Vol.31 (10), p.3972-3979

2012

Volltextzugriff (PDF)

Sales Practices in Pesticides Retail: A Case Study of Kerala

The Indian journal of agricultural economics, 2017-01, Vol.72 (1), p.102-116

2017

Volltextzugriff (PDF)

An evaluation of the GLYCAM06 and MM3 force fields, and the PM3-D molecular orbital method for modelling prototype carbohydrate–aromatic interactions

Journal of molecular graphics & modelling, 2010-11, Vol.29 (3), p.321-325

2010

Volltextzugriff (PDF)

Tea Trade Scenario in the Pre and Post Liberalization Period in India

Academic Journal of Interdisciplinary Studies, 2024-05, Vol.13 (3), p.150

2024

Volltextzugriff (PDF)

1 – 25 von 237

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(163)
Mit Volltextzugriff
(209)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(127)
Life Sciences & Biomedicine
(56)
Physical Sciences
(42)
Technology
(42)
Chemistry
(26)
Humans
(26)
Computer Science
(24)
Engineering
(22)
Physics
(19)
Materials Science
(13)
Computer Science, Interdisciplinary Applications
(12)
Artificial Intelligence
(11)
Science & Technology - Other Topics
(11)
Chemistry, Physical
(10)
Engineering, Electrical & Electronic
(10)
Adult
(9)
Female
(9)
Machine Learning
(9)
Materials Science, Multidisciplinary
(9)
Physics, Atomic, Molecular & Chemical
(9)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(9)

Menü

Weitere Dienste

Einstellungen

A unified set of experimental organometallic data used to evaluate modern theoretical methods

Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed Nanoclusters

Physical Nature of Substituent Effects in XH/π Interactions

Substituent Effects on Non-Covalent Interactions with Aromatic Rings: Insights from Computational Chemistry

Nickel Bis(diselenolene) as a Catalyst for Olefin Purification

Thermal and Photochemical Reactivity of Manganese Tricarbonyl and Tetracarbonyl Complexes with a Bulky Diazabutadiene Ligand

Mechanism of Ethylene Addition to Nickel Bis(oxothiolene) and Nickel Bis(dioxolene) Complexes

Aromatic Interactions Modulate the 5′-Base Selectivity of the DNA-Binding Autoantibody ED-10

Rice GIs of Kerala: Gap in Desired and Achieved Outcomes

Broad Transferability of Substituent Effects in π‑Stacking Interactions Provides New Insights into Their Origin

Deep reinforcement learning for predicting kinetic pathways to surface reconstruction in a ternary alloy

Agricultural Innovation and the Protection of Traditional Rice Varieties: Kerala a Case Study

Computational investigation of cobalt and copper bis (oxothiolene) complexes as an alternative for olefin purification

Geographical indications as a strategy for market enhancement‐lessons from rice GIs in Kerala

Carbohydrate―aromatic π interactions: a test of density functionals and the DFT-D method

Modelling the binding of HIV-reverse transcriptase and nevirapine: an assessment of quantum mechanical and force field approaches and predictions of the effect of mutations on binding

Iron(0) mediated C-H activation of 1-hexyne: a mechanistic study using time-resolved infrared spectroscopy

Insights into the Activity and Specificity of Trypanosoma cruzi trans-Sialidase from Molecular Dynamics Simulations

Carbohydrate-protein recognition probed by density functional theory and ab initio calculations including dispersive interactions

A mechanism for the addition of ethylene to nickel bis-dithiolene

The interaction of carbohydrates and amino acids with aromatic systems studied by density functional and semi-empirical molecular orbital calculations with dispersion corrections

Time-Resolved Infrared Spectroscopy Studies of Olefin Binding in Photogenerated CpRu(CO)X (X = Cl, I) Transients

Sales Practices in Pesticides Retail: A Case Study of Kerala

An evaluation of the GLYCAM06 and MM3 force fields, and the PM3-D molecular orbital method for modelling prototype carbohydrate–aromatic interactions

Tea Trade Scenario in the Pre and Post Liberalization Period in India

Suchergebnisse filtern