Results 131 to 140 of about 87,109 (183)

Molecular dynamics of bicyclo[2.2.0]hex-2-ene ring opening and its polar derivative: allowed <i>vs.</i> forbidden pathways. [PDF]

Chem Sci
Qin Z, Zhou Q, Wu RK, Houk KN.
europepmc   +1 more source

pH-Driven β₂AR Dynamics Reveal Loop-Mediated Allosteric Communication. [PDF]

ACS Omega
Sogunmez Erdogan N, Akten ED.
europepmc   +1 more source

Effect of para-aryl-substituted N-phenyl groups on the photophysical properties of highly fluorescent dibenzo[c,g]carbazole-based chromophores. [PDF]

RSC Adv
Kong M, Lee JH, Park H, Hwang H, Lee J, Park JH, Park MH, Kang H.   +7 more
europepmc   +1 more source

Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts. [PDF]

Chem Sci
McDonald PW, Goerigk L, Ritchie C.
europepmc   +1 more source

Exploring the chemical and biological landscape of a Nickel (II) schiff base complex via azomethine linkage. [PDF]

Sci Rep
Venkatesh R, Murugan T, Kubaib A, Umamaheswari L, Imran PM, AbdelGawwad MR, Alayadi H, Alfrisany NM.   +7 more
europepmc   +1 more source

A Precisely Bromo-Functionalized [9]Cycloparaphenylene as a Platform for Late-Stage Multisite π-Extension Toward Chiral Nanohoops. [PDF]

Angew Chem Int Ed Engl
Kinoshita N, Kotani N, Sugiura M, Matsumura K, Sakamaki D, Tauchi D, Hasegawa M, Kawai H, Tsuchido Y.   +8 more
europepmc   +1 more source

<i>In Silico</i> Perspective on Avobenzone, Octisalate, Octocrylene, Homosalate, and Bemotrizinol as Organic UV Filters Using DFT, TD-DFT, and Molecular Dynamics. [PDF]

ACS Omega
Rigoni ME, de Lazaro SR, de Lara LS.
europepmc   +1 more source

IDPEnsembleTools: An open-source library for analysis of conformational ensembles of disordered proteins. [PDF]

Protein Sci
Ghafouri H, Janson G, Tosatto SCE, Monzon AM.   +3 more
europepmc   +1 more source

Development of an AMBER-Compatible Force Field for Gold Nanoclusters Protected by <i>N</i>-Heterocyclic Carbenes. [PDF]

J Chem Theory Comput
Matus MF, Sabooni Asre Hazer M, Malola S, Häkkinen H.   +3 more
europepmc   +1 more source

Ultrafast Population and Structural Dynamics of a Ni-Bipyridine Photoredox Catalyst Reveal a Significant Deactivation Pathway. [PDF]

J Phys Chem Lett
Raj SL, Curtolo F, Nelson KJ, Cagan DA, Hooper RX, Bím D, Follmer AH, Ribson RD, Kazmierczak NP, McNicholas BJ, Powers-Riggs N, Sachs M, Biasin E, Sokaras D, Lim J, Gee LB, Chollet M, Kramer P, Alonso Mori R, van Driel TB, Gaffney KJ, Dong SS, Hadt RG, Cordones AA.   +23 more
europepmc   +1 more source