Zobrazeno 1 - 10
of 90
pro vyhledávání: '"Nayana Vaval"'
Autor:
Ashwin D. Gedam, Manish M. Katiya, Madhukar G. Dhonde, Kapil S. Ganorkar, Vijay J. Thakare, Prashant R. Mandlik, Nitin L. Jadhao, Jayant M. Gajbhiye, Ravi Kumar, Nayana Vaval
Publikováno v:
Heliyon, Vol 10, Iss 10, Pp e31217- (2024)
We developed a novel chromogenic reagent and sensor by selective approach, for the detection and identification of dichlorvos, which we tested with the thin layer chromatography method. For the first time, we reported in situ-generated glyoxal as a h
Externí odkaz:
https://doaj.org/article/30fd0ce90ec64008900c823471ae218d
Publikováno v:
International Journal of Molecular Sciences, Vol 2, Iss 2, Pp 89-102 (2001)
Abstract: In this paper, we study stationary variant of extended coupled-cluster response approach for properties. This has been studied at the singles and doubles approximation using cubic-truncated functional. This approximation has been studied ea
Externí odkaz:
https://doaj.org/article/d072133747234d06b7c2adf25807936b
Publikováno v:
Journal of Chemical Theory and Computation. 18:807-816
We have employed the highly accurate complex absorbing potential based ionization potential equation-of-motion coupled cluster singles and doubles (CAP-IP-EOM-CCSD) method to study the various intermolecular decay processes in ionized metals (Li$^{+}
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b6f0e71d812a98c2076fddf6700b8bd
https://doi.org/10.1021/acs.jctc.1c01036
https://doi.org/10.1021/acs.jctc.1c01036
SrF, being a laser-coolable molecule, can be an interesting system for spectroscopic tests of fundamental physics. We present an electronic structure study of this molecule within the four-component relativistic coupled-cluster singles and doubles (R
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f8f1b3467e8b5ec45f668585dfb1d3f
https://doi.org/10.26434/chemrxiv-2022-2hnf2
https://doi.org/10.26434/chemrxiv-2022-2hnf2
Publikováno v:
The journal of physical chemistry. A. 124(50)
The negative ion resonance states, which are electron-molecule metastable compound states, play the most important role in free-electron controlled molecular reactions and low-energy free-electron-induced DNA damage. Their electronic structure is oft
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::adadc65c7e382ff06190029eabd295df
https://pubmed.ncbi.nlm.nih.gov/33327725
https://pubmed.ncbi.nlm.nih.gov/33327725
Publikováno v:
Physical Review A. 101
We investigate the parity ($\mathcal{P}$) and time-reversal ($\mathcal{T}$) symmetry violating effects in the CdH molecule and perform the relativistic coupled-cluster calculation of the molecular parameters- $E_\text{eff}$, $W_\text{s}$ and $W_\text
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1bedb45aa7a4ffa9f20ff50cd4ff383d
https://doi.org/10.1103/physreva.101.032505
https://doi.org/10.1103/physreva.101.032505
The article deals with the extension of the relativistic double-ionization equation-of-motion coupled-cluster (DI-EOMCC) method [H. Pathak et al. Phys. Rev. A 90, 010501(R) (2014)] for the molecular systems. The Dirac-Coulomb (DC) Hamiltonian with fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dad58b6fc590e53208eb81c7ac07b968
http://arxiv.org/abs/2002.10049
http://arxiv.org/abs/2002.10049
Publikováno v:
Molecular Physics. 118
We have studied the shape resonance of excited states of sulphur dioxide (SO2) anion by using the correlated independent particle Fock space multi-reference coupled cluster (CAP-CIP-FSMRCCSD) metho...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::88c81da76a85bba81250367fb543fec9
https://doi.org/10.1080/00268976.2020.1726521
https://doi.org/10.1080/00268976.2020.1726521
Publikováno v:
International Conference of Computational Methods in Sciences and Engineering 2004 (ICCMSE 2004)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bb0836ad830582c10491ae1c06b63e9b
https://doi.org/10.1201/9780429081385-280
https://doi.org/10.1201/9780429081385-280
Publikováno v:
Physical Review A. 99
Investigation of the nuclear magnetic quadrupole moment (MQM) is an excellent way to reveal the new physics in the hadron sector of matter. Therefore, we investigate the violation of parity ($\mathcal{P}$) and time-reversal ($\mathcal{T}$) invariance
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0ab78b70030afd585914bf8810e1032b
https://doi.org/10.1103/physreva.99.032503
https://doi.org/10.1103/physreva.99.032503