tddft

Explore academic connections and research related to this keyword

200
Views
21
Total Connections
Search More Keywords

Related Articles & Bibliographies

1
Experimental and theoretical insights on the effect of solvent polarity on the photophysical properties of a benzanthrone dye.
Shivraj, ;Siddlingeshwar, B;Thomas, Anup;Kirilova, Elena M;Divakar, Darshan Devang;Alkheraif, Abdula...
2019 spectrochimica acta part a, molecular and biomolec... DOI: S1386-1425(19)30373-... 195 views
2
A highly selective acridine-based fluorescent probe for detection of Al in alcoholic beverage samples.
Dos Santos Carlos, Fabiane;Monteiro, Rafael Frasson;da Silva, Letícia Aparecida;Zanlorenzi, Cristian...
2020 spectrochimica acta part a, molecular and biomolec... DOI: S1386-1425(20)30096-... 219 views
3
Natural transition orbitals for complex two-component excited state calculations.
Kasper, Joseph M;Li, Xiaosong;
2020 journal of computational chemistry DOI: 10.1002/jcc.26196 166 views
4
Gaussian Basis Sets for Crystalline Solids: All-Purpose Basis Set Libraries vs System-Specific Optimizations.
Daga, Loredana Edith;Civalleri, Bartolomeo;Maschio, Lorenzo;
2020 journal of chemical theory and computation DOI: 10.1021/acs.jctc.9b0... 176 views
5
M11plus, a Range-Separated Hybrid Meta Functional Incorporating Nonlocal Rung-3.5 Correlation, Exhibits Broad Accuracy on Diverse Databases.
Janesko, Benjamin G;Verma, Pragya;Scalmani, Giovanni;Frisch, Michael J;Truhlar, Donald G;
2020 The journal of physical chemistry letters DOI: 10.1021/acs.jpclett.... 364 views
6
Measuring the difference in nuclear charge radius of Xe isotopes by EUV spectroscopy of highly charged Na-like ions.
Silwal, R;Lapierre, A;Gillaspy, J D;Dreiling, J M;Blundell, S A;Dipti, ;Borovik, A;Gwinner, G;Villar...
2018 physical review a DOI: 10.1103/PhysRevA.98.... 190 views
7
Nature of the Correlated Insulator States in Twisted Bilayer Graphene.
Xie, Ming;MacDonald, A H;
2020 physical review letters DOI: 10.1103/PhysRevLett.... 179 views
8
Theoretical study on the sensing mechanism of an ON-OFF-ON type fluoride fluorescent chemosensor.
Ding, Sha;Xu, Aixiang;Li, Mengyao;Sun, Aokui;Zhang, Zhe;Xia, Yong;Liu, Yuejun;
2020 spectrochimica acta part a, molecular and biomolec... DOI: S1386-1425(20)30375-... 239 views
9
metal atom effect on the photophysical properties of mg(ii), zn(ii), cd(ii), and pd(ii) tetraphenylporphyrin complexes proposed as possible drugs in photodynamic therapy
;Bruna Clara De Simone;Gloria Mazzone;Nino Russo;Emilia Sicilia;Marirosa Toscano
2017 Journal of ethnopharmacology DOI: 10.3390/molecules220... 205 views
10
Amino-Terephthalonitrile-Based Single Benzene Fluorophores with Large Stokes Shifts and Solvatochromic Behavior.
Raghava, Tanya;Chattopadhyay, Anjan;Bhavana, Purushothaman;Banerjee, Subhadeep;
2023 Chemistry, an Asian journal DOI: 10.1002/asia.2022013... 53 views
11
Correction: Investigation of cortical thickness and volume during spontaneous attacks of migraine without aura: a 3-Tesla MRI study.
Amin, Faisal Mohammad;De Icco, Roberto;Al-Karagholi, Mohammad Al-Mahdi;Raghava, Jayachandra M;Wolfra...
2023 The journal of headache and pain DOI: 22 64 views
12
LIVED EXPERIENCES OF STREET VENDORS IN CATBALOGAN CITY: A PHENOMENOLOGICAL STUDY
Generoso L. Sabinada;
2022 Horizon: Journal of Humanity and Artificial Intell... DOI: 22 1,159 views

Related Journals

Nano letters
ISSN: 1530-6992 864 views
spectrochimica acta part a, molecular and biomolecular spectroscopy
ISSN: 1873-3557 832 views
Chemistry, an Asian journal
ISSN: 1861-471X 1,034 views
journal of computational chemistry
ISSN: 1096-987X 693 views
physical review letters
ISSN: 1079-7114 761 views
The journal of physical chemistry letters
ISSN: 1948-7185 883 views
journal of chemical theory and computation
ISSN: 1549-9626 662 views
The journal of headache and pain
ISSN: 1129-2377 664 views
physical review a
ISSN: 2469-9926 236 views

Related Research Groups

No Research Groups Found

No research groups are currently associated with this keyword.

Explore Related Keywords

hydrogen bonding solvent polarity benzanthrone gaussian09 supramolecular chemistry 4,5-bis(phtalimidomethyl)acridine aluminum(iii) application in beverage samples fluorescent chemosensor generalized hartree-fock generalized kohn-sham natural transition orbitals relativistic methods two-component electronic structure method sensing mechanism fluorescence fluoride anion absorption spectra pdtorganic chemistry solvatochromism