Results 171 to 180 of about 4,765 (241)

Automated Discovery of Algorithms for Molecular Electronic Structure Calculations Using Physics-Informed Program Synthesis. [PDF]

J Am Chem Soc
Acheson K, Turanyi R, Habershon S.
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A Coupled Refined Model of Atomistic and Continuum Parameters of Diatomic Covalent Bonds. [PDF]

Nanomaterials (Basel)
Hondliakh O, Antonyuk S, Weirich M, Paas S.   +3 more
europepmc   +1 more source

Polaritonic Control of Blackbody Infrared Radiative Dissociation. [PDF]

J Phys Chem Lett
Suyabatmaz E, Aroeira GJR, Ribeiro RF.
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Collective Rabi-Driven Vibrational Activation in Molecular Polaritons. [PDF]

Nano Lett
Bustamante CM, Bonafé FP, Richardson R, Ruggenthaler M, Ying W, Nitzan A, Sukharev M, Rubio A.   +7 more
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Low-spin state design of highly active diatomic catalysts for oxygen reduction reaction. [PDF]

Natl Sci Rev
Li H, Li Z, Zeng J, Liu Z, Di S, Li X, Wang J, Wang S, Li L.   +8 more
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Exact Rovibronic Equivalence of the Adiabatic and Diabatic Representations of $$ N $$ -Coupled State Diatomic Systems. [PDF]

J Comput Chem
Brady RP, Yurchenko SN.
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Link between Spin-Orbit Relativity and Magnetically Induced Current Densities in Heavy-Atom Hydrides: <i>trans</i>-Ligand Influence. [PDF]

JACS Au
Blasco D, Novotný J, Asher JR, Berger RJF, Komorovsky S, Marek R.   +5 more
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Testing the limits: serial crystallography using unpatterned fixed targets. [PDF]

IUCrJ
Gorel A, Shoeman RL, Hartmann E, Nizinski S, Appleby MV, Beale EV, Dworkowski F, Gotthard GC, Beale JH, Holton J, Doak RB, Barends TRM, Schlichting I.   +12 more
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Structure of Fluoride Anion Aqueous Solution Derived from X-ray Spectroscopy. [PDF]

J Phys Chem B
Carravetta V, Söderström J, de Brito AN, Öhrwall G, Ågren H, Rubensson JE, Agåker M, Ekholm V, Tokushima T, Ghosh A, Björneholm O.   +10 more
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