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2011, ISBN 1439825610, xix, 409
Book
2009, ISBN 1420065432, xvii, 576 p., [16] p. of plates
Book
2011, ISBN 9781439813348, xxi, 435
Book
2013, Atoms, molecules, and clusters, ISBN 9781466506206, xxxiii, 316
"This volume focuses on the statistical treatment of assemblies of atoms and molecules, including computer simulation methods (both ab initio and classical... 
Chemistry, Physical and theoretical
Book
2013, Atoms, molecules, and clusters, ISBN 9781466505285, xxxv, 462 p, [4] p. of plates
"Written for students at advanced undergraduate and graduate levels, this book focuses on the electronic structures and reactivities of atoms and molecules. It... 
Chemical reaction, Conditions and laws of | Electron distribution | Quantum chemistry | Chemistry, Physical and theoretical | Materials Chemistry | Condensed Matter Physics | Physical Chemistry
Book
The journal of physical chemistry. A, ISSN 1089-5639, 05/2019, Volume 123, Issue 21, pp. 4513 - 4531
Confined systems often exhibit unusual behavior regarding their structure, stability, reactivity, bonding, interactions, and dynamics. Quantization is a direct... 
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 04/2018, Volume 39, Issue 10, pp. 535 - 545
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 01/2018, Volume 39, Issue 3, pp. 151 - 160
The effect of geometrical confinement on the Diels–Alder reactions between some model dienes viz. furan, thiophene, cyclopentadiene, benzene, and a classic... 
rate acceleration | cucurbituril | confinement | supramolecular chemistry | Diels–Alder reaction | CATALYSIS | ACTIVATION | ACID | STABILIZATION | NONCOVALENT INTERACTIONS | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | ACCELERATION | BIOMASS | GAS ATOMS | Diels-Alder reaction | Thermodynamics | Cyclopentadiene | Specific gravity | Analysis | Density functionals | Furans | Thiophene
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 01/2018, Volume 39, Issue 3, pp. 161 - 175
Journal Article
European Journal of Inorganic Chemistry, ISSN 1434-1948, 10/2019, Volume 2019, Issue 38, pp. 4105 - 4111
Herein, we report for the first time the stabilization of two Mg(I)–Mg(I) bonds simultaneously in the same complex. The β‐diketeminate based ligand is modified... 
Subvalent Mg complexes | Electride | Non‐nuclear attractors (NNA) | Electron localization function (ELF) | Mg(I)–Mg(I) bonds | Chemical bonds | Ligands | Magnesium | Toluene | Dipping | Exothermic reactions
Journal Article
ChemPhysChem, ISSN 1439-4235, 08/2017, Volume 18, Issue 16, pp. 2162 - 2170
The impact of geometrical confinement on the thermodynamic as well as kinetic aspects of a model cycloaddition reaction between 1,3‐butadiene and ethylene have... 
thermodynamics | cycloaddition | host–guest systems | cage compounds | kinetics | Case studies | Density functionals | Thermodynamics | Specific gravity | Analysis | Butadiene
Journal Article
ISSN 1463-9076, 7/2016, Volume 18, Issue 28, pp. 18811 - 18827
The possibility of obtaining metal cluster (M 3 O + , M = Li, Na, K) supported pristine, B-doped and BN-doped graphene nanoflakes (GR, BGR and BNGR,... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 20, pp. 14211 - 14222
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 10/2014, Volume 16, Issue 40, pp. 21964 - 21979
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 03/2012, Volume 116, Issue 12, pp. 3259 - 3266
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 08/2017, Volume 19, Issue 34, pp. 23373 - 23385
The impact of functionalization as well as guest encapsulation on the optoelectronic properties of the ExBox moiety has been investigated with the aid of... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2017, Volume 19, Issue 34, pp. 23373 - 23385
Journal Article
ChemPhysChem, ISSN 1439-4235, 12/2014, Volume 15, Issue 18, pp. 4108 - 4116
Journal Article
Annual Reports on the Progress of Chemistry - Section C, ISSN 0260-1826, 2009, Volume 105, pp. 13 - 39
Journal Article