Detalhe da pesquisa
1.
Molecular Gas-Phase Conformational Ensembles.
J Chem Inf Model
; 64(3): 749-760, 2024 Feb 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-38206321
2.
Nonlinear optical phase shift in blood plasmas for neoplasia diagnosis.
Opt Express
; 31(14): 23056-23065, 2023 Jul 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-37475399
3.
Rapid and Automated Ab Initio Metabolite Collisional Cross Section Prediction from SMILES Input.
J Chem Inf Model
; 63(16): 4995-5000, 2023 08 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37548575
4.
Quantum Chemistry Calculations for Metabolomics.
Chem Rev
; 121(10): 5633-5670, 2021 05 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-33979149
5.
AutoGraph: Autonomous Graph-Based Clustering of Small-Molecule Conformations.
J Chem Inf Model
; 61(4): 1647-1656, 2021 04 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-33780248
6.
Metabolite Structure Assignment Using In Silico NMR Techniques.
Anal Chem
; 92(15): 10412-10419, 2020 08 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-32608974
7.
Superwavelength, wavelength, and subwavelength laser-induced periodic surface structures on zinc and their energy-dispersive x-ray analysis.
Appl Opt
; 58(20): 5451-5455, 2019 Jul 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-31504013
8.
Nucleoside-2',3'/3',5'-bis(thio)phosphate antioxidants are also capable of disassembly of amyloid beta42-Zn(ii)/Cu(ii) aggregates via Zn(ii)/Cu(ii)-chelation.
Org Biomol Chem
; 14(20): 4640-53, 2016 May 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-27109038
9.
First principles model calculations of the biosynthetic pathway in selinadiene synthase.
Bioorg Med Chem
; 24(20): 4867-4870, 2016 10 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-27427398
10.
Electron Detachment and Subsequent Structural Changes of Water Clusters.
J Phys Chem A
; 120(7): 1065-73, 2016 Feb 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-26835702
11.
Understanding the site selectivity in small-sized neutral and charged Al(n) (4 ≤ N ≤ 7) clusters using density functional theory based reactivity descriptors: a validation study on water molecule adsorption.
J Phys Chem A
; 117(36): 8691-702, 2013 Sep 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-23672406
12.
Critical study of the charge transfer parameter for the calculation of interaction energy using the local hard-soft acid-base principle.
J Phys Chem A
; 117(42): 10933-43, 2013 Oct 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-24066610
13.
Reconfigurable wavefront sensor for ultrashort pulses.
Opt Lett
; 37(7): 1154-6, 2012 Apr 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-22466179
14.
In Silico Collision Cross Section Calculations to Aid Metabolite Annotation.
J Am Soc Mass Spectrom
; 33(5): 750-759, 2022 May 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35378036
15.
Highly efficient THG in TiO2 nanolayers for third-order pulse characterization.
Opt Express
; 19(18): 16985-95, 2011 Aug 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-21935058
16.
Extended-area nanostructuring of TiO2 with femtosecond laser pulses at 400 nm using a line focus.
Nanotechnology
; 21(15): 155302, 2010 Apr 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-20299729
17.
Soil erodibility indices under different land uses in Ri-Bhoi district of Meghalaya (India).
Sci Rep
; 10(1): 14986, 2020 09 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32917970
18.
Nonlinearly coupled, gain-switched Nd:YAG second harmonic laser with variable pulse width.
Appl Opt
; 48(4): 765-9, 2009 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-19183606
19.
A comparative study between the outcomes of visual internal urethrotomy for short segment anterior urethral strictures done under spinal anesthesia and local anesthesia.
Turk J Urol
; 45(6): 431-436, 2019 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-31603417
20.
Distraction during cystoscopy to reduce pain and increase satisfaction: Randomized control study between real-time visualization versus listening to music versus combined music and real-time visualization.
Urol Ann
; 11(1): 33-38, 2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-30787568