| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A beyond Born-Oppenheimer treatment of five state molecular system NO 3 and the photodetachment spectra of its anion
|
Mukherjee, Bijit
|
|
2018
|
515 |
C |
p. 350-359
|
artikel
|
| 2 |
Ab initio photodynamics of model EUV photoresists
|
Chalabala, Jan
|
|
2018
|
515 |
C |
p. 221-230
|
artikel
|
| 3 |
Achieving ultrafast topologically-protected vibrational energy transfer in a dimer chain
|
Hsieh, Chang-Yu
|
|
2018
|
515 |
C |
p. 315-322
|
artikel
|
| 4 |
Adjacent keto and enol groups in photochemistry of a cyclic molecule: Products, mechanisms and dynamics
|
Shemesh, Dorit
|
|
2018
|
515 |
C |
p. 177-186
|
artikel
|
| 5 |
An ab initio quantum dynamical analysis of the vibronic structure of the X 2 B g photoelectron spectral band of s-trans- 1 , 3 -butadiene
|
Nikoobakht, Behnam
|
|
2018
|
515 |
C |
p. 654-662
|
artikel
|
| 6 |
An efficient pseudo-spectral method for the description of atomic electronic wave functions – Application to the hydrogen atom in a uniform magnetic field
|
Woywod, Clemens
|
|
2018
|
515 |
C |
p. 299-314
|
artikel
|
| 7 |
Applications of neural networks to the simulation of dynamics of open quantum systems
|
Bandyopadhyay, Sayantan
|
|
2018
|
515 |
C |
p. 272-278
|
artikel
|
| 8 |
Attractive Bose-Einstein condensates in anharmonic traps: Accurate numerical treatment and the intriguing physics of the variance
|
Alon, Ofir E.
|
|
2018
|
515 |
C |
p. 287-298
|
artikel
|
| 9 |
Charge migration kinetics at a nanoscale ZnO/molecule interface structure: A stochastic Schrödinger equation approach
|
Plehn, Thomas
|
|
2018
|
515 |
C |
p. 187-192
|
artikel
|
| 10 |
Comparative study of the photodynamics of malonaldehyde and acetylacetone
|
Sapunar, Marin
|
|
2018
|
515 |
C |
p. 622-627
|
artikel
|
| 11 |
Concerted-asynchronous reaction path of the excited-state double proton transfer in the 7-azaindole homodimer and 6H-indolo[2,3-b]quinoline/7-azaindole heterodimer
|
Yamazaki, Shohei
|
|
2018
|
515 |
C |
p. 768-778
|
artikel
|
| 12 |
Conical intersections involving the lowest 1 πσ ∗ state in aniline: Role of the NH2 group
|
Ray, Jyotirmoy
|
|
2018
|
515 |
C |
p. 77-87
|
artikel
|
| 13 |
Dissipaton dynamics theory versus quantum master equations
|
Wang, Yao
|
|
2018
|
515 |
C |
p. 94-101
|
artikel
|
| 14 |
Dynamical consequences of time-reversal symmetry for systems with odd number of electrons: Conical intersections, semiclassical dynamics, and topology
|
Wang, Ruixi
|
|
2018
|
515 |
C |
p. 3-20
|
artikel
|
| 15 |
Dynamics of the spin-boson model: A comparison of the multiple Davydov D 1 , D 1.5 , D 2 Ansätze
|
Chen, Lipeng
|
|
2018
|
515 |
C |
p. 108-118
|
artikel
|
| 16 |
Editorial Board
|
|
|
2018
|
515 |
C |
p. ii
|
artikel
|
| 17 |
Effective quenching and excited-state relaxation of a Cu(I) photosensitizer addressed by time-resolved spectroscopy and TDDFT calculations
|
Friedrich, Aleksej
|
|
2018
|
515 |
C |
p. 557-563
|
artikel
|
| 18 |
Effect of vibrational pre-excitation on sub-femtosecond structural evolution of water cation in 2A1 state
|
Jayachander Rao, B.
|
|
2018
|
515 |
C |
p. 400-410
|
artikel
|
| 19 |
Electronic structure and photoelectron spectroscopy of manganese dihalides from quantum chemical methods and Dyson orbitals
|
Roy Chowdhury, Sabyasachi
|
|
2018
|
515 |
C |
p. 513-520
|
artikel
|
| 20 |
Electron-proton transfer mechanism of excited-state hydrogen transfer in phenol−(NH3) n (n = 5) studied by delayed ionization detected femtosecond time-resolved NIR spectroscopy
|
Miyazaki, Mitsuhiko
|
|
2018
|
515 |
C |
p. 580-585
|
artikel
|
| 21 |
Energy flow in the Photosystem I supercomplex: Comparison of approximative theories with DM-HEOM
|
Kramer, Tobias
|
|
2018
|
515 |
C |
p. 262-271
|
artikel
|
| 22 |
Entanglement of the molecular photodissociation products at avoided crossings and conical intersections
|
Grebenshchikov, Sergy Yu.
|
|
2018
|
515 |
C |
p. 60-70
|
artikel
|
| 23 |
Environmental effects on the dynamics in the light-harvesting complexes LH2 and LH3 based on molecular simulations
|
Mallus, Maria Ilaria
|
|
2018
|
515 |
C |
p. 141-151
|
artikel
|
| 24 |
Evidence for competing proton-transfer and hydrogen-transfer reactions in the S1 state of indigo
|
Haggmark, Michael R.
|
|
2018
|
515 |
C |
p. 535-542
|
artikel
|
| 25 |
Excited state photodissociation dynamics of 2-, 3-, 4-hydroxyacetophenone: Theoretical study
|
Dyakov, Yuri A.
|
|
2018
|
515 |
C |
p. 672-678
|
artikel
|
| 26 |
Excited states dissociation dynamics of indole-x-carboxaldehyde (x = 4, 5, 6, 7): Theoretical and experimental study
|
Dyakov, Yuri A.
|
|
2018
|
515 |
C |
p. 543-549
|
artikel
|
| 27 |
Experimental and theoretical study of the excited-state tautomerism of 6-azauracil in water surroundings
|
Yankov, Evelin P.
|
|
2018
|
515 |
C |
p. 663-671
|
artikel
|
| 28 |
Exploring vibrational ladder climbing in vibronic coupling models: Toward experimental observation of a geometric phase signature of a conical intersection
|
Daoud, Hazem
|
|
2018
|
515 |
C |
p. 28-35
|
artikel
|
| 29 |
Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulations of non-adiabatic dynamics
|
Makhov, Dmitry V.
|
|
2018
|
515 |
C |
p. 46-51
|
artikel
|
| 30 |
General formalism of vibronic Hamiltonians for tetrahedral and octahedral systems: Problems that involve A-type states and a-type vibrations
|
Lang, Robert A.
|
|
2018
|
515 |
C |
p. 36-45
|
artikel
|
| 31 |
Graphical abstract TOC
|
|
|
2018
|
515 |
C |
p. IBC
|
artikel
|
| 32 |
Graphical abstract TOC
|
|
|
2018
|
515 |
C |
p. OBC
|
artikel
|
| 33 |
Herman-Kluk propagator is free from zero-point energy leakage
|
Buchholz, Max
|
|
2018
|
515 |
C |
p. 231-235
|
artikel
|
| 34 |
Importance of the lowest-lying Π electronic state in the photodissociation dynamics of LiF
|
Tóth, Attila
|
|
2018
|
515 |
C |
p. 418-426
|
artikel
|
| 35 |
Improved potential energy surfaces of thioanisole and the effect of upper surface variations on the product distribution upon photodissociation
|
Shu, Yinan
|
|
2018
|
515 |
C |
p. 737-743
|
artikel
|
| 36 |
Inelastic processes in low-energy iron-hydrogen collisions
|
Yakovleva, S.A.
|
|
2018
|
515 |
C |
p. 369-374
|
artikel
|
| 37 |
Intersystem crossing dynamics in singly substituted thiouracil studied by time-resolved photoelectron spectroscopy: Micro-environmental effects due to sulfur position
|
Mohamadzade, Abed
|
|
2018
|
515 |
C |
p. 572-579
|
artikel
|
| 38 |
Laser spectroscopic study on sinapic acid and its hydrated complex in a cold gas phase molecular beam
|
Kenjo, Seiya
|
|
2018
|
515 |
C |
p. 381-386
|
artikel
|
| 39 |
Linear absorption spectra of solvated thiouracils resolved at the hybrid RASPT2/MM level
|
Nenov, Artur
|
|
2018
|
515 |
C |
p. 643-653
|
artikel
|
| 40 |
Multistate coupled quantum dynamics of photoexcited cytosine in gas-phase: Nonadiabatic absorption spectrum and ultrafast internal conversions
|
Liu, Yanli
|
|
2018
|
515 |
C |
p. 452-463
|
artikel
|
| 41 |
Nonadiabatic dynamics simulations of photoexcited urocanic acid
|
Tuna, Deniz
|
|
2018
|
515 |
C |
p. 521-534
|
artikel
|
| 42 |
Non-adiabatic quantum reactive scattering calculations for the ultracold hydrogen exchange reaction: H + H2( v = 4 - 8 , j = 0 ) → H + H2( v ′ , j ′ )
|
Kendrick, Brian K.
|
|
2018
|
515 |
C |
p. 387-399
|
artikel
|
| 43 |
Non-adiabatic transitions near accidental degeneracy 3 Σ + = 1 Π in linear triatomic systems
|
Osherov, V.I.
|
|
2018
|
515 |
C |
p. 71-76
|
artikel
|
| 44 |
Nuclear wavepackets along quantum paths in nonadiabatic electron wavepacket dynamics
|
Takatsuka, Kazuo
|
|
2018
|
515 |
C |
p. 52-59
|
artikel
|
| 45 |
ONIOM studies on thermally activated delayed fluorescence of copper(I) dimers in crystal
|
Gao, Yuan-Jun
|
|
2018
|
515 |
C |
p. 692-703
|
artikel
|
| 46 |
On-the-fly ab initio three thawed Gaussians approximation: A semiclassical approach to Herzberg-Teller spectra
|
Begušić, Tomislav
|
|
2018
|
515 |
C |
p. 152-163
|
artikel
|
| 47 |
On-the-fly molecular dynamics study of the excited-state branching reaction of α-methyl-cis-stilbene
|
Tsutsumi, Takuro
|
|
2018
|
515 |
C |
p. 564-571
|
artikel
|
| 48 |
Optimized unoccupied single-particle functions in the (multi-layer) multi-configurational time-dependent Hartree approach
|
Manthe, Uwe
|
|
2018
|
515 |
C |
p. 279-286
|
artikel
|
| 49 |
Phase-space wavepacket dynamics of internal conversion via conical intersection: Multi-state quantum Fokker-Planck equation approach
|
Ikeda, Tatsushi
|
|
2018
|
515 |
C |
p. 203-213
|
artikel
|
| 50 |
Photodetachment spectroscopy of carbon doped anionic boron cluster, CB 9 - : A theoretical study
|
Sarkar, Rudraditya
|
|
2018
|
515 |
C |
p. 679-691
|
artikel
|
| 51 |
Photoinduced hydrogen-transfer reactions in pyridine-water clusters: Insights from excited-state electronic-structure calculations
|
Pang, Xiaojuan
|
|
2018
|
515 |
C |
p. 550-556
|
artikel
|
| 52 |
Photoisomerization of hemithioindigo compounds: Combining solvent- and substituent- effects into an advanced reaction model
|
Graupner, Franziska F.
|
|
2018
|
515 |
C |
p. 614-621
|
artikel
|
| 53 |
Pulse-shape effects in fifth-order multidimensional optical spectroscopy
|
Do, Thanh Nhut
|
|
2018
|
515 |
C |
p. 119-128
|
artikel
|
| 54 |
Quantum dynamics of multi-dimensional rhodopsin photoisomerization models: Approximate versus accurate treatment of the secondary modes
|
Sala, Matthieu
|
|
2018
|
515 |
C |
p. 164-176
|
artikel
|
| 55 |
Redundant coordinates in quantum mechanics
|
Toombs, Eric
|
|
2018
|
515 |
C |
p. 336-341
|
artikel
|
| 56 |
Resolving the excited state relaxation dynamics of guanosine monomers and hydrogen-bonded homodimers in chloroform solution
|
Ingle, Rebecca A.
|
|
2018
|
515 |
C |
p. 480-492
|
artikel
|
| 57 |
Signature of the geometric phase in the wave packet dynamics on hypersurfaces
|
Duan, Hong-Guang
|
|
2018
|
515 |
C |
p. 21-27
|
artikel
|
| 58 |
Simulations of absorption and fluorescence lineshapes using the reaction coordinate method
|
Rybakovas, Edvardas
|
|
2018
|
515 |
C |
p. 242-251
|
artikel
|
| 59 |
Solvation effects alter the photochemistry of 2-thiocytosine
|
Janicki, Mikołaj J.
|
|
2018
|
515 |
C |
p. 502-508
|
artikel
|
| 60 |
Solvent effect on the energetics of proton coupled electron transfer in guanine-cytosine pair in chloroform by mixed explicit and implicit solvation models
|
Martinez-Fernandez, Lara
|
|
2018
|
515 |
C |
p. 493-501
|
artikel
|
| 61 |
Solvent mediated catalysis and proton-shuttling in the formation of 3-methylphthalide from a ketene intermediate
|
Weingart, O.
|
|
2018
|
515 |
C |
p. 750-756
|
artikel
|
| 62 |
State-to-state quantum dynamics of the H + LiF → Li + HF reaction on an accurate ab initio potential energy surface
|
Xie, Changjian
|
|
2018
|
515 |
C |
p. 427-433
|
artikel
|
| 63 |
Stochastically correlated versus uncorrelated quantum-state diffusion dynamics in different electronic states: third-order polarizations and two-dimensional vibronic spectra
|
Wehner, Johannes
|
|
2018
|
515 |
C |
p. 102-107
|
artikel
|
| 64 |
Strategy for creating rational fraction fits to stabilization graph data on metastable electronic states
|
Gasperich, K.
|
|
2018
|
515 |
C |
p. 342-349
|
artikel
|
| 65 |
Substituent effects on the nonadiabatic dynamics of ethylene: π -donors and π -acceptors
|
MacDonell, Ryan J.
|
|
2018
|
515 |
C |
p. 360-368
|
artikel
|
| 66 |
Substituent position effects on sunscreen photodynamics: A closer look at methyl anthranilate
|
Rodrigues, Natércia d.N.
|
|
2018
|
515 |
C |
p. 596-602
|
artikel
|
| 67 |
Symmetry-induced kinetic isotope effects in the dissociation dynamics of CHCl3 + and CHCl4 −
|
Petersen, Allan Christian
|
|
2018
|
515 |
C |
p. 375-380
|
artikel
|
| 68 |
Tangent space formulation of the Multi-Configuration Time-Dependent Hartree equations of motion: The projector–splitting algorithm revisited
|
Bonfanti, Matteo
|
|
2018
|
515 |
C |
p. 252-261
|
artikel
|
| 69 |
Testing new chromophores for singlet fission: A computational protocol applied to 2,3-diamino-1,4-benzoquinone
|
Accomasso, Davide
|
|
2018
|
515 |
C |
p. 635-642
|
artikel
|
| 70 |
The A g + state falls below 3 A g - at carotenoid-relevant conjugation lengths
|
Taffet, Elliot J.
|
|
2018
|
515 |
C |
p. 757-767
|
artikel
|
| 71 |
The π-conjugation length determines the fluorescence quenching mechanism of aromatic aldehydes in water
|
Fletcher, Katharyn
|
|
2018
|
515 |
C |
p. 710-718
|
artikel
|
| 72 |
The effect of hydrogen bonding on the nonadiabatic dynamics of a thymine-water cluster
|
Lischka, Hans
|
|
2018
|
515 |
C |
p. 472-479
|
artikel
|
| 73 |
The effect of large autoionization decay rates (resonance widths) on cold molecular cross-sections and the reflection phenomenon
|
Ben-Asher, Anael
|
|
2018
|
515 |
C |
p. 88-93
|
artikel
|
| 74 |
The effect of laser pulse bandwidth on the measurement of the frequency fluctuation correlation functions in 2D electronic spectroscopy
|
Nowakowski, Paweł J.
|
|
2018
|
515 |
C |
p. 214-220
|
artikel
|
| 75 |
The excited-state structure and photophysics of isolated acenaphthylene
|
Flock, Marco
|
|
2018
|
515 |
C |
p. 744-749
|
artikel
|
| 76 |
Theoretical study of charge-transfer processes at finite temperature using a novel thermal Schrödinger equation
|
Borrelli, Raffaele
|
|
2018
|
515 |
C |
p. 236-241
|
artikel
|
| 77 |
Theoretical study of intramolecular singlet fission in xanthene-bonded pentacene dimers
|
Reddy, S. Rajagopala
|
|
2018
|
515 |
C |
p. 628-634
|
artikel
|
| 78 |
The origin of fluorescence in DNA thio-analogues
|
Karsili, Tolga N.V.
|
|
2018
|
515 |
C |
p. 434-440
|
artikel
|
| 79 |
The quest for the carbene bent-pentadiynylidene isomer of C5H2
|
Thimmakondu, Venkatesan S.
|
|
2018
|
515 |
C |
p. 411-417
|
artikel
|
| 80 |
The role of 1πσ∗ states in the formation of adenine radical-cations in DNA duplexes
|
Karsili, Tolga N.V.
|
|
2018
|
515 |
C |
p. 464-471
|
artikel
|
| 81 |
The role of the charge-transfer states in the ultrafast excitonic dynamics of the DTDCTB dimers embedded in a crystal environment
|
Jiang, Shengshi
|
|
2018
|
515 |
C |
p. 603-613
|
artikel
|
| 82 |
The Zero Point Position in Morse’s potential and accurate prediction of thermal expansion in metals
|
Benassi, Enrico
|
|
2018
|
515 |
C |
p. 323-335
|
artikel
|
| 83 |
Treatment of Herzberg-Teller and non-Condon effects in optical spectra with Hierarchical Equations of Motion
|
Seibt, Joachim
|
|
2018
|
515 |
C |
p. 129-140
|
artikel
|
| 84 |
Ultrafast electronic deactivation of UV-excited adenine and its ribo- and deoxyribonucleosides and -nucleotides: A comparative study
|
Stange, Uta C.
|
|
2018
|
515 |
C |
p. 441-451
|
artikel
|
| 85 |
Ultrafast N–H vibrational dynamics of hydrogen-bonded cyclic amide reveal by 2DIR spectroscopy
|
Maiti, Kiran Sankar
|
|
2018
|
515 |
C |
p. 509-512
|
artikel
|
| 86 |
Ultrafast nonradiative transition pathways in photo-excited pyrazine: Ab initio analysis of time-resolved vacuum ultraviolet photoelectron spectrum
|
Mignolet, Benoît
|
|
2018
|
515 |
C |
p. 704-709
|
artikel
|
| 87 |
Ultrafast photoinduced processes in polyatomic molecules: Electronic structure, dynamics and spectroscopy
|
Gelin, Maxim F.
|
|
2018
|
515 |
C |
p. 1-2
|
artikel
|
| 88 |
Ultrafast relaxation from 1 L a to 1 L b in pyrene: a theoretical study
|
Roos, Matthias K.
|
|
2018
|
515 |
C |
p. 586-595
|
artikel
|
| 89 |
Vibrational damping effects on electronic energy relaxation in molecular aggregates
|
Jakučionis, Mantas
|
|
2018
|
515 |
C |
p. 193-202
|
artikel
|
| 90 |
Vibrationally resolved absorption and fluorescence spectra of perylene and N-substituted derivatives from autocorrelation function approaches
|
Xiong, Tao
|
|
2018
|
515 |
C |
p. 728-736
|
artikel
|
| 91 |
Vibronic coupling model to calculate the photoelectron spectrum of phenol
|
Taylor, M.P.
|
|
2018
|
515 |
C |
p. 719-727
|
artikel
|
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