Results 131 to 140 of about 849 (148)

Computational Investigation of Reactivity Parameters, UV-Vis and IR Spectra, NLO Properties, and Temperature-Dependent Thermodynamic Characteristics of Schiff-Based Interdigitated 5O.m (m=14,16) Liquid Crystalline Compounds: A DFT Analysis [PDF]

Kritika Garg, Adrish Chakraborty, Ayon Bhattacharjee, Sandip Paul Choudhury, Sunita Kumari, Debanjan Bhattacharjee   +5 more
openalex   +1 more source

The π-trap approach for obtaining crystal structure data of inherently amorphous cluster compounds. [PDF]

Nat Commun
Wang Y, Rinn N, Eberheim K, Ziese F, Christmann J, Jana A, Nier S, Rosemann NW, Sanna S, Dehnen S.   +9 more
europepmc   +1 more source

NLO Properties of 3-Styryl Coumarin Derivatives - A Computational Approach [PDF]

Siddheshwar D Jadhav
openalex   +1 more source

Collider-flavour complementarity from the bottom to the top. [PDF]

Eur Phys J C Part Fields
Atkinson O, Englert C, Kirk M, Tetlalmatzi-Xolocotzi G.   +3 more
europepmc   +1 more source

Insights from computational approach into dynamic NLO and electronic properties of N’- (4-X-3,5-dimethoxybenzylidene)-1H-indole-3-carbohydrazides [PDF]

Justice Chinonso Eze, Nathanael Damilare Ojo, Emmanuel Oloruntoba Yeye, Nnenna Winifred Odozi, N.O. Obi-Egbedi   +4 more
openalex   +1 more source

Electronic structure, global reactivity descriptors and nonlinear optical properties of glycine interacted with ZnO, MgO and CaO for bacterial detection. [PDF]

Sci Rep
Sabry NM, Badry R, Abdel-Gawad FK, Elhaes H, Ibrahim MA.   +4 more
europepmc   +1 more source

The enhancement of nonlinear optical properties of azulene-based nanographene by N atoms: a finishing touch. [PDF]

Chem Sci
Zhang YQ, Yang CC, Ma JY, Tian WQ.
europepmc   +1 more source

Extensive electronic investigation of BMBH structure and adsorption locator on graphene with molecular dynamics of human serum albumin interaction. [PDF]

Sci Rep
Alblozy WSS, El Sayed DS, Mahfouz RM.
europepmc   +1 more source

Radiative corrections: from medium to high energy experiments. [PDF]

Eur Phys J A Hadron Nucl
Afanasev A, Bernauer JC, Blunden P, Blümlein J, Cline EW, Friedrich JM, Hagelstein F, Husek T, Kohl M, Myhrer F, Paz G, Schadmand S, Schmidt A, Sharkovska V, Signer A, Tomalak O, Tomasi-Gustafsson E, Ulrich Y, Vanderhaeghen M.   +18 more
europepmc   +1 more source

Investigation on synthesized sulfonamide Schiff base with DFT approaches and in silico pharmacokinetic studies: Topological, NBO, and NLO analyses. [PDF]

Heliyon
Abedin MM, Pal TK, Chanmiya Sheikh M, Alam MA.   +3 more
europepmc   +1 more source