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1Academic Journal
المؤلفون: Xinyang Li, Nicholas Lubbers, Sergei Tretiak, Kipton Barros, Yu Zhang
مصطلحات موضوعية: Biophysics, Biochemistry, Inorganic Chemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, prototype azomethane molecule, potential energy surfaces, nonadiabatic coupling vectors, manipulate chemical reactions, computational tools provide, state chemical systems, modeling exciton polaritons, collective coupling scenario, shown promising capabilities, excited state coupled, machine learning framework, state polariton chemistry, machine learning, state properties, strongly coupled, predict excited, polariton chemistry, needed framework, modeling ground, collective phenomenon, work presents, transition dipoles, recent experiments
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2Academic Journal
مصطلحات موضوعية: Biophysics, Biotechnology, Cancer, Space Science, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, protonated schiff base, semiempirical vector direction, nonadiabatic coupling vectors, best adjustment option, gradient difference direction, surface hopping dynamics, gradient difference, nonadiabatic coupling, momentum direction, surface hopping, excellent option, velocity adjustment, nonadiabatic dynamics, adjustment approach, velocity adjusted, topography near, reaction yields, population decay, less crucial, different sets, conventional algorithm, conical intersections
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3Academic Journal
المؤلفون: Alexander Humeniuk, William J. Glover
مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Plant Biology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, static polarizability leads, nonadiabatic coupling vectors, essentially quantitative levels, effective core potentials, construct analytical gradients, polarizable solvent shell, two excited states, analytical gradients, excited states, solvent shifts, nonpolar solvent, transfer states, electronic states, system calculations, state crossings, solvatochromic shifts, single hamiltonian, recently introduced, polarizable qm, pauli repulsion, older implementations, negligible shifts, n <
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4Academic Journal
المؤلفون: Alexander Humeniuk, William J. Glover
مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Plant Biology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, static polarizability leads, nonadiabatic coupling vectors, essentially quantitative levels, effective core potentials, construct analytical gradients, polarizable solvent shell, two excited states, analytical gradients, excited states, solvent shifts, nonpolar solvent, transfer states, electronic states, system calculations, state crossings, solvatochromic shifts, single hamiltonian, recently introduced, polarizable qm, pauli repulsion, older implementations, negligible shifts, n <
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5
المؤلفون: Alexander Humeniuk, William J. Glover
مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Plant Biology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, static polarizability leads, nonadiabatic coupling vectors, essentially quantitative levels, effective core potentials, construct analytical gradients, polarizable solvent shell, two excited states, analytical gradients, excited states, solvent shifts, nonpolar solvent, transfer states, electronic states, system calculations, state crossings, solvatochromic shifts, single hamiltonian, recently introduced, polarizable qm, pauli repulsion, older implementations, negligible shifts, n <
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6
المؤلفون: Alexander Humeniuk, William J. Glover
مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Plant Biology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, static polarizability leads, nonadiabatic coupling vectors, essentially quantitative levels, effective core potentials, construct analytical gradients, polarizable solvent shell, two excited states, analytical gradients, excited states, solvent shifts, nonpolar solvent, transfer states, electronic states, system calculations, state crossings, solvatochromic shifts, single hamiltonian, recently introduced, polarizable qm, pauli repulsion, older implementations, negligible shifts, n <
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7
المؤلفون: Alexander Humeniuk, William J. Glover
مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Plant Biology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, static polarizability leads, nonadiabatic coupling vectors, essentially quantitative levels, effective core potentials, construct analytical gradients, polarizable solvent shell, two excited states, analytical gradients, excited states, solvent shifts, nonpolar solvent, transfer states, electronic states, system calculations, state crossings, solvatochromic shifts, single hamiltonian, recently introduced, polarizable qm, pauli repulsion, older implementations, negligible shifts, n <
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8
المؤلفون: Alexander Humeniuk, William J. Glover
مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Plant Biology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, static polarizability leads, nonadiabatic coupling vectors, essentially quantitative levels, effective core potentials, construct analytical gradients, polarizable solvent shell, two excited states, analytical gradients, excited states, solvent shifts, nonpolar solvent, transfer states, electronic states, system calculations, state crossings, solvatochromic shifts, single hamiltonian, recently introduced, polarizable qm, pauli repulsion, older implementations, negligible shifts, n <