Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Robert W. Quandt"'
Autor:
Robert W. Quandt, Rachel A. Craigmile, Matthew C. Drummer, Benjamin J. Dilday, Andrew D. Buettner, Jean M. Standard
Publikováno v:
Physical Chemistry Chemical Physics. 22:24583-24599
Production of formyl radical, HCO, from reactions of O(3P) with alkynes (acetylene, propyne, 1-butyne, and 1-pentyne) has been investigated using cavity ringdown laser absorption spectroscopy (CRDLAS) and computational methods. No HCO was detected fr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc50ce94b6da0b8430395de11e4436a1
https://doi.org/10.1039/d0cp03698f
https://doi.org/10.1039/d0cp03698f
Autor:
Andrew D, Buettner, Benjamin J, Dilday, Rachel A, Craigmile, Matthew C, Drummer, Jean M, Standard, Robert W, Quandt
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(42)
Production of formyl radical, HCO, from reactions of O(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::1033069882ac8464dd00cfed51993925
https://pubmed.ncbi.nlm.nih.gov/33094751
https://pubmed.ncbi.nlm.nih.gov/33094751
Autor:
Robert W. Quandt, Kenneth J. McDonald
Publikováno v:
Computational and Theoretical Chemistry. 1037:28-34
The formation of molecular chlorine from the ground state dissociation of CCl 4 and CHCl 3 was investigated at the M06, MP2 and CCSD(T) levels of theory, all using the cc-pVTZ basis set. All levels of theory showed the presence of two transition stat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::08b0ecc7236ff4788390b6522e105252
https://doi.org/10.1016/j.comptc.2014.03.025
https://doi.org/10.1016/j.comptc.2014.03.025
Publikováno v:
The Journal of Physical Chemistry A. 115:1243-1249
Multireference configuration interaction (MRCI) calculations of the lowest singlet X(1A') and triplet ã((3)A'') states as well as the first excited singlet Ã((1)A'') state have been performed for a series of bromocarbenes: CHBr, CFBr, CClBr, CBr(2)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd681a397d74517ba20a59b76d8fed5b
https://doi.org/10.1021/jp107688v
https://doi.org/10.1021/jp107688v
Publikováno v:
Chemical Physics Letters. 464:26-30
The 2 × 193 nm photodissociations of CHCl 3 and CCl 4 have been examined using dispersed emission. It was found that the initial photodissociation of CHCl 3 forms large amounts of CH(A 2 Δ) while the photodissociation of CCl 4 , forms lesser but st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::545d7f3745e1a507a3bfde594a266513
https://doi.org/10.1016/j.cplett.2008.08.099
https://doi.org/10.1016/j.cplett.2008.08.099
Publikováno v:
The Journal of Physical Chemistry A. 107:9730-9735
Ab initio calculations have been performed to determine the structure and energies of the ground and first two excited electronic states of CHF2. The 6-31+G*, 6-311++G**, aug-ccpVDZ, and aug-cc-pVTZ basis sets were utilized at the MP2 and CCSD(T) lev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3119305a841d78d7ad33dc204a591c24
https://doi.org/10.1021/jp0364203
https://doi.org/10.1021/jp0364203
Autor:
Jean M. Standard, Robert W. Quandt
Publikováno v:
The Journal of Physical Chemistry A. 107:6877-6881
The X( 1 A') and A( 1 A") electronic states of CFI have been investigated using the CASPT2(18,12) method. Results for the ground-state equilibrium geometry of CFI are in excellent agreement with previous studies. The equilibrium geometry of the excit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::89686d591845deb320c134403da72a80
https://doi.org/10.1021/jp030496h
https://doi.org/10.1021/jp030496h
Publikováno v:
The Journal of Physical Chemistry A. 107:19-24
The formation of electronically excited molecular iodine from the two-photon photodissociation of CI 4 and CHI 3 was investigated using dispersed fluorescence and ab initio calculations. Molecular iodine was formed in theD, D', and E ion-pair states
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a2ff8b1a81aff10df858e4611513a739
https://doi.org/10.1021/jp021610j
https://doi.org/10.1021/jp021610j
Publikováno v:
The Journal of Physical Chemistry A. 106:1357-1364
Ab initio calculations have been performed to determine the structure and energies of the ground and first excited electronic states of bromine- and iodine-containing singlet carbenes. Effective core potential basis sets augmented with polarization f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f39728041ca4e5225fe15f81e00343d9
https://doi.org/10.1021/jp012967a
https://doi.org/10.1021/jp012967a
Autor:
Robert W. Quandt, John F. Hershberger
Publikováno v:
The Journal of Physical Chemistry. 100:9407-9411
The reaction of NH{sub 2}(X {sup 2}B{sub 1}) with NO{sub 2} was studied at room temperature using time-resolved infrared diode laser spectroscopy to detect N{sub 2}O, H{sub 2}O, and NO products. The N{sub 2}O + H{sub 2}O product channel was found to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8041bff44d6ba2168bf93580c05d069b
https://doi.org/10.1021/jp960432p
https://doi.org/10.1021/jp960432p