Results 111 to 120 of about 6,367,328 (195)

Refining potential energy surface through dynamical properties via differentiable molecular simulation. [PDF]

Nat Commun
Han B, Yu K.
europepmc   +1 more source

Kinetic Analysis of the Redox-Neutral Catalytic Mitsunobu Reaction: Dehydration, Kinetic Barriers, and Hopping between Potential Energy Surfaces. [PDF]

J Am Chem Soc
Andrews KG, Borsley S.
europepmc   +1 more source

Britain: Potential energy [PDF]

Nature, 1977
openaire   +1 more source

Electric potential energy optimized 3D radial sampling trajectories for MRI. [PDF]

Sci Rep
Huynh C, Goolaub DS, Macgowan CK.
europepmc   +1 more source

Potential Energy Surfaces [PDF]

EPJ Web of Conferences, 2011
openaire   +2 more sources

Global Potential Energy Surface Investigation of Cyanoformaldehyde and Its Conformational Dynamics, Decomposition Pathways, and Water-Involved Bimolecular Reactions. [PDF]

ACS Omega
Zhang D, Kishimoto N.
europepmc   +1 more source

Pressure-induced amorphous-amorphous transition in pre-densified silica glass: an experimental exploration of the potential energy landscape. [PDF]

Sci Rep
Courtois M, Berthelot A, Cornet A, Le Floch S, Martinet C, Deschamps T.   +5 more
europepmc   +1 more source

Machine Learning to Predict Potential Energy Surface of Resveratrol Drug: A Quantum-Level Calculation. [PDF]

ACS Med Chem Lett
Shirani H, Hashemianzadeh SM.
europepmc   +1 more source

Electromicrobiological concentration cells are an overlooked potential energy conservation mechanism for subsurface microorganisms. [PDF]

Front Microbiol
Marshall IPG.
europepmc   +1 more source

Quantum Calculation of the Collision-Induced Line-Shape Effects in Antiprotonic Helium and the New Accurate Ab Initio p¯He+-He Potential Energy Surface. [PDF]

J Chem Theory Comput
Jóźwiak HJ, Bakalov D, Przybytek M, Stoilov M, Wcisło P.   +4 more
europepmc   +1 more source