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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

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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

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Basicity of Guanidines with Heteroalkyl Side Chains in Acetonitrile

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

2008

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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Excited-state non-adiabatic dynamics simulations of pyrrole

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

2009

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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

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[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

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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

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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

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

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

2017

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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

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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

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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

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QM/MM non-adiabatic decay dynamics of formamide in polar and non-polar solvents

Physical chemistry chemical physics : PCCP, 2012-10, Vol.14 (38), p.13262-13272

2012

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

Physical chemistry chemical physics : PCCP, 2010-10, Vol.12 (39), p.12719-12726

2010

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The nonadiabatic deactivation paths of pyrrole

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

2006

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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

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

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

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

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

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

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

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

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

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

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

QM/MM non-adiabatic decay dynamics of formamide in polar and non-polar solvents

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

The nonadiabatic deactivation paths of pyrrole

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