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Chemical Physics Letters, ISSN 0009-2614, 11/2018, Volume 711, p. 60
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1016/j.cplett.2018.09.020... 
Force and energy
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 11/2018, Volume 711, pp. 60 - 65
Conversion pathways of prism-C with a D structure to a monocyclic C structure on the potential energy surfaces (PES) were elucidated by quantum chemical... 
Journal Article
2013, 1, ISBN 9781466577848, xxiii, 492
As a transient phenomenon can shut down a building or an entire city, transient analysis is crucial to managing and designing electrical systems. Power System... 
Transients (Electricity) | TECHNOLOGY & ENGINEERING / Electronics / General | TECHNOLOGY & ENGINEERING / Electronics / Circuits / General | TECHNOLOGY & ENGINEERING / Power Resources / Electrical
Book
The Journal of Physical Chemistry A, ISSN 1089-5639, 06/2005, Volume 109, Issue 25, pp. 5742 - 5753
Technical details of a new global mapping technique for finding equilibrium (EQ) and transition structures (TS) on potential energy surfaces (PES), the scaled... 
INTRINSIC REACTION COORDINATE | CHEMICAL-REACTIONS | PULSE SHOCK-TUBE | MASTER EQUATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | STATE BARRIER HEIGHT | SADDLE-POINTS | CHEMISTRY, PHYSICAL | CLASSICAL TRAJECTORY CALCULATIONS | DENSITY-FUNCTIONAL THEORY | 193 NM | C3H4 SURFACE | Potential energy | Atomic properties | Structure | Analysis | Surface energy | Formaldehyde
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 05/2007, Volume 111, Issue 20, pp. 4527 - 4534
The potential energy surface (PES) of water octamers has been explored by the scaled hypersphere search method. Among 164 minima on the PES (based on... 
Journal Article
Organometallics, ISSN 0276-7333, 07/2007, Volume 26, Issue 14, pp. 3597 - 3600
The titanocene-catalyzed dehydrocoupling of the adduct Me2NH·BH3 has been investigated by density functional theory (B3LYP). Unlike the thermal dehydrogenation... 
Journal Article
The Chemical Record, ISSN 1527-8999, 10/2016, Volume 16, Issue 5, pp. 2198 - 2218
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 12/2019
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 07/2018, Volume 39, Issue 20, pp. 1498 - 1507
Global exploration of equilibrium structures and interconversion pathways on the quantum chemical potential energy surface (PES) is performed for (H2CO)n (n =... 
transition structure | non‐covalent interaction | molecular cluster | intermolecular interaction | non-covalent interaction
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 06/2019, Volume 725, pp. 59 - 65
We have found capsule-formed dimers of polycyclic aromatic hydrocarbons (cap-di-PAH) for coronene, ovalene, and circumcoronene by quantum chemical... 
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 06/2019, Volume 725, p. 59
Highlights We have found capsule-formed dimers of polycyclic aromatic hydrocarbons (cap-di-PAH) for coronene, ovalene, and circumcoronene by quantum chemical... 
Polycyclic aromatic hydrocarbons | Force and energy
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2/2013, Volume 15, Issue 11, pp. 3683 - 371
Journal Article
Journal Article
Journal of Veterinary Medical Science, ISSN 0916-7250, 2019, Volume 81, Issue 3, pp. 348 - 352
Megaesophagus (ME) is a common esophageal disease in dogs and the prognosis is generally poor, especially with aspiration pneumonia (AP). We retrospectively... 
aspiration pneumonia | miniature dachshund | megaesophagus | RESOLUTION MANOMETRIC EVALUATION | SURVIVAL | DOGS | DYSAUTONOMIA | CISAPRIDE | HYPOADRENOCORTICISM | VETERINARY SCIENCES | ESOPHAGEAL | Esophageal diseases | Prognosis | Myasthenia gravis | Medical prognosis | Dogs | Neuromuscular junctions | Myasthenia | Megaesophagus | Survival | Esophagus | Internal Medicine
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 07/2015, Volume 633, Issue 1, pp. 120 - 125
Quantum chemical calculations have predicted the existence of a new carbon family with double-layered structures formed by arranging prism-C ( = 6, 8, and 12)... 
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 07/2019, Volume 58, Issue 31, pp. 10399 - 10399
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 03/2009, Volume 113, Issue 9, pp. 1704 - 1710
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 07/2006, Volume 110, Issue 28, pp. 8933 - 8941
Global reaction route mapping of equilibrium structures, transition structures, and their connections on potential energy surface (PES) has been done for MCHO... 
CHEMICAL-REACTIONS | GRADIENT EXTREMALS | ATOM ECONOMY | STATIONARY-POINTS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SADDLE-POINTS | LITHIUM COMPOUNDS | CHEMISTRY, PHYSICAL | SIMPLE MOLECULES | HYPERSPHERE SEARCH METHOD | REACTION PATHWAYS | Potential energy | Chemical properties | Formic acid | Analysis | Formaldehyde
Journal Article
Bulletin of the Chemical Society of Japan, ISSN 0009-2673, 11/2018, Volume 91, Issue 11, pp. 1625 - 1629
Efficiency of the isomer exploration of BCNOS was investigated by limited search techniques using the LADD and NRUN options of the Global Reaction Route... 
Global reaction route mapping | Scaled hypersphere search method | Large add following | ACID | POTENTIAL-ENERGY SURFACES | CHEMISTRY | Large ADD following | REACTION PATHWAYS | FORMALDEHYDE | CHEMISTRY, MULTIDISCIPLINARY | AUTOMATED EXPLORATION | MOLECULES | Hyperspheres | Mapping | Anharmonicity | Searching | Isomers
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 04/2008, Volume 112, Issue 13, pp. 2962 - 2968
The scaled hypersphere search method was applied to ab initio potential energy surfaces of the H2S·(H2O) n /SH-·H3O+·(H2O) n -1 system with n = 5−7. Local... 
Journal Article
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