Related references
Note: Only part of the references are listed.Software update: The ORCA program system-Version 5.0
Frank Neese
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2022)
From Cardoon Lignocellulosic Biomass to Bio-1,4 Butanediol: An Integrated Biorefinery Model
Isabella De Bari et al.
PROCESSES (2020)
Advances in bioconversion of glycerol to 1,3-propanediol: Prospects and challenges
Ya-Qin Sun et al.
PROCESS BIOCHEMISTRY (2018)
Quantification and Confirmation of Fifteen Carbamate Pesticide Residues by Multiple Reaction Monitoring and Enhanced Product Ion Scan Modes via LC-MS/MS QTRAP System
Ying Zhou et al.
MOLECULES (2018)
Three-component coupling of CO2, propargyl alcohols, and amines: An environmentally benign access to cyclic and acyclic carbamates (A Review)
Sattar Arshadi et al.
JOURNAL OF CO2 UTILIZATION (2017)
Organic Carbonates: Efficient Extraction Solvents for the Synthesis of HMF in Aqueous Media with Cerium Phosphates as Catalysts
Angela Dibenedetto et al.
CHEMSUSCHEM (2016)
Synthesis of diethylcarbonate by ethanolysis of urea: A study on the recoverability and recyclability of new Zn-based heterogeneous catalysts
Angela Dibenedetto et al.
APPLIED CATALYSIS A-GENERAL (2015)
Consistent structures and interactions by density functional theory with small atomic orbital basis sets
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Organic Carbamates in Drug Design and Medicinal Chemistry
Arun K. Ghosh et al.
JOURNAL OF MEDICINAL CHEMISTRY (2015)
Zinc monoglycerolate as a catalyst for the conversion of 1,3-and higher diols to diurethanes
Sanjitha Kulasegaram et al.
RSC ADVANCES (2015)
Polyurethanes: Versatile Materials and Sustainable Problem Solvers for Today's Challenges
Hans-Wilhelm Engels et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Catalytic Synthesis of Hydroxymethyl-2-oxazolidinones from Glycerol or Glycerol Carbonate and Urea
Angela Dibenedetto et al.
CHEMSUSCHEM (2013)
Renewable Non-Isocyanate Based Thermoplastic Polyurethanes via Polycondensation of Dimethyl Carbamate Monomers with Diols
Maike Unverferth et al.
MACROMOLECULAR RAPID COMMUNICATIONS (2013)
A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems
Holger Kruse et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Urea methanolysis to dimethyl carbonate over ZnO-CeO2-MO (MO: La2O3, Y2O3, Co2O3, Ga2O3, and ZrO2) catalysts
Wangrae Joe et al.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY (2012)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Carbon Dioxide as a Carbonylating Agent in the Synthesis of 2-Oxazolidinones, 2-Oxazinones, and Cyclic Ureas: Scope and Limitations
Jairo Paz et al.
JOURNAL OF ORGANIC CHEMISTRY (2010)
Synthesis of dimethyl carbonate from methyl carbamate and methanol catalyzed by mixed oxides from hydrotalcite-like compounds
Dengfeng Wang et al.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2010)
Valorization of bio-glycerol: New catalytic materials for the synthesis of glycerol carbonate via glycerolysis of urea
Michele Aresta et al.
JOURNAL OF CATALYSIS (2009)
Synthesis of dimethyl carbonate from methyl carbamate and methanol with zinc compounds as catalysts
Wenbo Zhao et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2008)
Condensation polymers from natural oils
Vinay Sharma et al.
PROGRESS IN POLYMER SCIENCE (2008)
Structural engineering of polyurethane coatings for high performance applications
D. K. Chattopadhyay et al.
PROGRESS IN POLYMER SCIENCE (2007)
Synthesis of cyclic carbonates from urea and diols over metal oxides
Qibiao Li et al.
CATALYSIS TODAY (2006)
On the existence of the elusive monomethyl ester of carbonic acid [CH3OC(O)OH] at 300 K:: 1H- and 13C NMR measurements and DFT calculations
A Dibenedetto et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2006)
Accurate Coulomb-fitting basis sets for H to Rn
F Weigend
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Synthesis of dimethyl carbonate from urea and methanol over solid base catalysts
MH Wang et al.
CATALYSIS COMMUNICATIONS (2006)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model
M Cossi et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Transesterification of urea and ethylene glycol to ethylene carbonate as an important step for urea based dimethyl carbonate synthesis
BM Bhanage et al.
GREEN CHEMISTRY (2003)
Share Paper
