Results 111 to 120 of about 124,244 (129)

Substituent Effects in the Thermal Decomposition of 1,2,4-Triazol-3(2H)-Ones and Their Thione Analogues: A DFT Study with Functional Performance. [PDF]

Molecules
Ipanaque-Chávez R, Loroño M, Cordova-Sintjago T, Paz JL.   +3 more
europepmc   +1 more source

In Silico Study About Substituent Effects, Electronic Properties, and the Biological Potential of 1,3-Butadiene Analogues. [PDF]

Int J Mol Sci
Kula K, Kuś E.
europepmc   +1 more source

Tuning Electrocatalytic Energy Release in Norbornadiene Based Molecular Solar Thermal Systems Through Substituent Effects. [PDF]

Chemistry
Franz E, Oberhof N, Krappmann D, Baggi N, Hussain Z, Moth-Poulsen K, Hölzel H, Hirsch A, Dreuw A, Brummel O, Libuda J.   +10 more
europepmc   +1 more source

Advanced Molecular Electron Density Theory Study of the Substituent Effects in Nucleophilic Substitution Reactions. [PDF]

ACS Omega
Domingo LR, Pérez P, Ríos-Gutiérrez M, Aurell MJ.   +3 more
europepmc   +1 more source

Synthesis and stereochemistry of hydroporphyrins [PDF]

, 1978
Dolphin, D., Scheer, Hugo
core   +1 more source

Tuning the ²LMCT Deactivation of Cyclometalated Iron Carbene Complexes with Electronic Substituent Effects. [PDF]

Chemistry
Mishra A, Sharma K, Johnson CE, Fosu EA, Schwarz J, Prakash O, Gupta AK, Huang P, Lindgren F, Häggström L, Bendix J, Jakubikova E, Lomoth R, Wärnmark K.   +13 more
europepmc   +1 more source

Rhenium Chalcogenide Clusters Containing <i>para</i>-Substituted Phenylacetylide Ligands: Synthesis, Characterization, and Investigation of Substituent Effects on Spectroscopic and Electrochemical Properties. [PDF]

Organometallics
Helmink KL, Hicks CA, Lauper-Cook BS, Peters SJ, Daley CJA, Molard Y, Szczepura LF.   +6 more
europepmc   +1 more source

Substituent Effects on Crystal Engineering of DNBT-Based Energetic Cocrystals: Insights from Multiscale Computational Analysis. [PDF]

Materials (Basel)
Shi L, Liu M, Xie S, Li S, Liu S, Yuan S, Duan X, Li H.   +7 more
europepmc   +1 more source

Akamptisomerism as a Switching Element: Substituent Effects on Bond Angle Reflection and Photophysical Properties of B-O-B Porphyrins. [PDF]

Inorg Chem
de Andrade KN, Raffaeli NM, Fiorot RG.
europepmc   +1 more source

Theoretical Insights into ESIPT and GSIPT in Schiff Base Cu(II)-BSSMO Complexes: Substituent Effects Explored via DFT, Molecular Docking, and Dynamics Simulations for Optoelectronic and Biomedical Applications. [PDF]

ACS Omega
Panneerselvam M, Sri Gayathri AN, Nathiya S, Martins JDS, Rama I, Tavares FW, Costa LT.   +6 more
europepmc   +1 more source