UB Paderborn / Katalog / Suche / in CDI

Click Mechanochemistry: Quantitative Synthesis of "Ready to Use" Chiral Organocatalysts by Efficient Two-Fold Thiourea Coupling to Vicinal Diamines

Chemistry : a European journal, 2012-07, Vol.18 (27), p.8464-8473

2012

Link zum Volltext

Verfügbarkeit prüfen

The Antiferromagnetic Spin Coupling in Non-Kekulé Acenes-Impressive Polyradical Character Revealed by High-Level Multireference Methods

Chemphyschem, 2016-07, Vol.17 (13), p.2013-2021

2016

Link zum Volltext

Verfügbarkeit prüfen

Towards an environmentally-friendly laboratory: dimensionality and reactivity in the mechanosynthesis of metal-organic compounds

Chemical communications (Cambridge, England), 2010-12, Vol.46 (48), p.9191-9193

2010

Link zum Volltext

Verfügbarkeit prüfen

Basicity of organic bases and superbases in acetonitrile by the polarized continuum model and DFT calculations

New journal of chemistry, 2009, Vol.33 (3), p.588-597

2009

Link zum Volltext

Verfügbarkeit prüfen

Excited-state non-adiabatic dynamics simulations of pyrrole

Molecular physics, 2009-04, Vol.107 (8-12), p.845-854

2009

Link zum Volltext

Verfügbarkeit prüfen

Automerization reaction of cyclobutadiene and its barrier height: an ab initio benchmark multireference average-quadratic coupled cluster study

The Journal of chemical physics, 2006-08, Vol.125 (6), p.64310-64310

2006

Link zum Volltext

Verfügbarkeit prüfen

Basicity of Guanidines with Heteroalkyl Side Chains in Acetonitrile

European Journal of Organic Chemistry, 2008-10, Vol.2008 (30), p.5176-5184

2008

Link zum Volltext

Verfügbarkeit prüfen

The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems

Journal of photochemistry and photobiology. A, Chemistry., 2007-08, Vol.190 (2-3), p.228-240

2007

Link zum Volltext

Verfügbarkeit prüfen

Multireference Configuration Interaction Methods – An Application to the Valence Isomerism in Cyclobutadieno-p-benzoquinone and its Diprotonated Form

Croatica Chemica Acta, 2015-12, Vol.88 (4), p.495-503

2015

Link zum Volltext

Verfügbarkeit prüfen

Study of the Mechanism of the N−CO Photodissociation in N,N-Dimethylformamide by Direct Trajectory Surface Hopping Simulations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-11, Vol.113 (45), p.12582-12590

2009

Link zum Volltext

Verfügbarkeit prüfen

The nonadiabatic deactivation paths of pyrrole

The Journal of chemical physics, 2006-10, Vol.125 (16), p.164323-164323-7

2006

Link zum Volltext

Verfügbarkeit prüfen

Generation and Dissociation Pathways of Singly and Doubly Protonated Bisguanidines in the Gas Phase

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-11, Vol.112 (47), p.12097-12103

2008

Link zum Volltext

Verfügbarkeit prüfen

Matrix-controlled photofragmentation of formamide: dynamics simulation in argon by nonadiabatic QM/MM method

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (39), p.12719-12726

2010

Link zum Volltext

Verfügbarkeit prüfen

Triguanide Derivatives: Synthesis, Crystal Structure and Evaluation of the Proliferation Effect on Some Tumor Cell Lines

European journal of organic chemistry, 2012-12, Vol.2012 (34), p.6785-6797

2012

Link zum Volltext

Verfügbarkeit prüfen

The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-07, Vol.113 (29), p.8351-8358

2009

Link zum Volltext

Verfügbarkeit prüfen

Gas phase basicity of biguanides – Comparison of the equilibrium and the kinetic methods

International journal of mass spectrometry, 2019-01, Vol.435, p.61-68

2019

Link zum Volltext

Verfügbarkeit prüfen

Desymmetrisation of aromatic diamines and synthesis of non-symmetrical thiourea derivatives by click-mechanochemistry

Chemical communications (Cambridge, England), 2012-10, Vol.48 (78), p.9705-9707

2012

Link zum Volltext

Verfügbarkeit prüfen

Thermal reaction of [3,4]-benzo-8-substituted-3Z,5Z,7E-octatetraenes and quantum-chemical study of the (8π,6π)-electrocyclisation

Organic & biomolecular chemistry, 2011-10, Vol.9 (19), p.6771-6778

2011

Link zum Volltext

Verfügbarkeit prüfen

A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents

Green chemistry : an international journal and green chemistry resource : GC, 2012-01, Vol.14 (9), p.2462-2473

2012

Link zum Volltext

Verfügbarkeit prüfen

Acetamide as the model of the peptide bond: Nonadiabatic photodynamical simulations in the gas phase and in the argon matrix

Computational and theoretical chemistry, 2014-07, Vol.1040-1041, p.136-143

2014

Link zum Volltext

Verfügbarkeit prüfen

Toward extension of the gas-phase basicity scale by novel pyridine containing guanidines

International journal of mass spectrometry, 2013-11, Vol.354-355, p.113-122

2013

Link zum Volltext

Verfügbarkeit prüfen

The Influence of Multiple Fluorination on the Ring Opening of [2.2.2]Propellane

Croatica Chemica Acta, 2017, Vol.90 (2), p.O1

2017

Link zum Volltext

Verfügbarkeit prüfen

[2.2.2]Propellane Isomerization by Grob Rearrangement: An Ab Initio MR-AQCC Study

European Journal of Organic Chemistry, 2007-07, Vol.2007 (19), p.3173-3178

2007

Link zum Volltext

Verfügbarkeit prüfen

Clean and Efficient Synthesis Using Mechanochemistry: Coordination Polymers, Metal-Organic Frameworks and Metallodrugs

Croatica chemica acta, 2012-10, Vol.85 (3), p.367-378

2012

Link zum Volltext

Verfügbarkeit prüfen

Mechanochemistry vs. solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method

CrystEngComm, 2018, Vol.20 (45), p.7242-7247

2018

Link zum Volltext

Verfügbarkeit prüfen

Menü

Weitere Dienste

Einstellungen

Click Mechanochemistry: Quantitative Synthesis of "Ready to Use" Chiral Organocatalysts by Efficient Two-Fold Thiourea Coupling to Vicinal Diamines

The Antiferromagnetic Spin Coupling in Non-Kekulé Acenes-Impressive Polyradical Character Revealed by High-Level Multireference Methods

Towards an environmentally-friendly laboratory: dimensionality and reactivity in the mechanosynthesis of metal-organic compounds

Basicity of organic bases and superbases in acetonitrile by the polarized continuum model and DFT calculations

Excited-state non-adiabatic dynamics simulations of pyrrole

Automerization reaction of cyclobutadiene and its barrier height: an ab initio benchmark multireference average-quadratic coupled cluster study

Basicity of Guanidines with Heteroalkyl Side Chains in Acetonitrile

The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems

Multireference Configuration Interaction Methods – An Application to the Valence Isomerism in Cyclobutadieno-p-benzoquinone and its Diprotonated Form

Study of the Mechanism of the N−CO Photodissociation in N,N-Dimethylformamide by Direct Trajectory Surface Hopping Simulations

The nonadiabatic deactivation paths of pyrrole

Generation and Dissociation Pathways of Singly and Doubly Protonated Bisguanidines in the Gas Phase

Matrix-controlled photofragmentation of formamide: dynamics simulation in argon by nonadiabatic QM/MM method

Triguanide Derivatives: Synthesis, Crystal Structure and Evaluation of the Proliferation Effect on Some Tumor Cell Lines

The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study

Gas phase basicity of biguanides – Comparison of the equilibrium and the kinetic methods

Desymmetrisation of aromatic diamines and synthesis of non-symmetrical thiourea derivatives by click-mechanochemistry

Thermal reaction of [3,4]-benzo-8-substituted-3Z,5Z,7E-octatetraenes and quantum-chemical study of the (8π,6π)-electrocyclisation

A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents

Acetamide as the model of the peptide bond: Nonadiabatic photodynamical simulations in the gas phase and in the argon matrix

Toward extension of the gas-phase basicity scale by novel pyridine containing guanidines

The Influence of Multiple Fluorination on the Ring Opening of [2.2.2]Propellane

[2.2.2]Propellane Isomerization by Grob Rearrangement: An Ab Initio MR-AQCC Study

Clean and Efficient Synthesis Using Mechanochemistry: Coordination Polymers, Metal-Organic Frameworks and Metallodrugs

Mechanochemistry vs. solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method

Suchergebnisse filtern