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Keyword [potential energy surface]
Result: 181 - 200 | Page: 10 of 10
181. Characterizing water-metal interfaces and machine learning potential energy surface
182. Potential energy surface to kinetics and thermodynamics of atomic clusters
183. Potential energy surface around the tropylium ion
184. Computational study of rovibrational spectra of Van der Waals dimers and their isotopologues
185. Improving ab initio molecular dynamics of liquid water
186. Feet on the potential energy surface, head in the pi clouds
187. Peptides, Diamines, and Nucleobases: Investigations in Ion Chemistry
188. Quantum calculations of dynamics of triatomic and tetraatomic molecules
189. Effects of multidimensional potential-energy surface topology on the unimolecular dissociation of vinyl bromide
190. Sampling the potential energy surface of a DNA duplex damaged by a food carcinogen: Force field parameterization by ab initio quantum calculations and conformational searching using molecular mechanics computations
191. Intramolecular vibrations and electronically nonadiabatic dynamics in photodissociation reactions
192. NMR relaxation and classical trajectory studies of anisotropic intermolecular forces
193. The anisotropic intermolecular potential energy surface of argon - hydrogen-chloride from intracavity far infrared laser/microwave double resonance spectroscopy
194. Quantum Chemical Studies On The Structures And Stabilization Of Molecular Systems Containing N5
195. Theoretical Study On The Structure And Stability Of Pentanitrogen Cation
196. Theoretical Methods For Reaction Mechanism In Complex Reaction Systems
197. Theoretical Studies On Potential Energy Surfaces And Spectra For The HO2 And HNO Systems
198. Photodissociation Dynamics Of Cluster Ions
199. Theoretical Studies On Reaction Dynamics Of Open Shell Molecules NO And O2 Scattered From Surfaces
200. Constructions Of Potential Energy Surfaces And Quantum Dynamics Studies For X++H2(X=N,Be) Reaction Systems
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