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1 . Academic Journal
Nonadiabatic dynamics simulations of photoexcited urocanic acid
저자
by
Tuna, Deniz
;
Spörkel, Lasse
;
Barbatti, Mario
;
Thiel, Walter
.
소스
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Chemical Physics
14 November 2018 515:521-534
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6 . Academic Journal
A global ab initio dipole moment surface for methyl chloride
저자
by
Owens, Alec
;
Yurchenko, Sergei N.
;
Yachmenev, Andrey
;
Tennyson, Jonathan
;
Thiel, Walter
.
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Journal of Quantitative Spectroscopy and Radiative Transfer
November 2016 184:100-110
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7 . Academic Journal
Reaction mechanism of matrix metalloproteinases with a catalytically active zinc ion studied by the QM(DFTB)/MM simulations
저자
by
Vasilevskaya, Tatiana
;
Khrenova, Maria G.
;
Nemukhin, Alexander V.
;
Thiel, Walter
.
소스
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Mendeleev Communications
May-June 2016 26(3):209-211
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6 . Academic Journal
Theoretical investigation on the mechanism of iron catalyzed cross coupling reactions via ferrate intermediates
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by
Heggen, Berit
;
Thiel, Walter
.
소스
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Journal of Organometallic Chemistry
15 February 2016 804:42-47
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4 . Academic Journal
The v4 = 1 and v4 = 2 rovibrational levels of PF3 revisited: New solutions for old topics
저자
by
Ceausu-Velcescu, Adina
;
Pracna, Petr
;
Breidung, Jürgen
;
Thiel, Walter
;
Badaoui, Mohamed
.
소스
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Journal of Molecular Spectroscopy
October 2015 316:11-21
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7 . Academic Journal
Vibrational transition moments of CH4 from first principles
저자
by
Yurchenko, Sergei N.
;
Tennyson, Jonathan
;
Barber, Robert J.
;
Thiel, Walter
.
소스
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Journal of Molecular Spectroscopy
September 2013 291:69-76
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6 . Academic Journal
Synthesis, characterization, thermal and computational studies of novel tetra-azido esters as energetic plasticizers
저자
by
Kumari, Dimple
;
Singh, Haridwar
;
Patil, Mahendra
;
Thiel, Walter
;
Pant, Chandra Shekhar
, et al.
소스
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Thermochimica Acta
20 June 2013 562:96-104
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7 . Academic Journal
On the use of quartic force fields in variational calculations
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Fortenberry, Ryan C.
;
Huang, Xinchuan
;
Yachmenev, Andrey
;
Thiel, Walter
;
Lee, Timothy J.
.
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Chemical Physics Letters
14 June 2013 574:1-12
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7 . Academic Journal
TD-DFT and DFT/MRCI study of electronic excitations in Violaxanthin and Zeaxanthin
저자
by
Götze, Jan Philipp
;
Thiel, Walter
.
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Chemical Physics
29 March 2013 415:247-255
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4 . Academic Journal
Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study
저자
by
Yurchenko, Sergei N.
;
Barber, Robert J.
;
Tennyson, Jonathan
;
Thiel, Walter
;
Jensen, Per
.
소스
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Journal of Molecular Spectroscopy
2011 268(1):123-129
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