| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab-initio surface hopping and multiphoton ionisation study of the photodissociation dynamics of CS2
|
Bellshaw, Darren
|
|
2017
|
683 |
C |
p. 383-388
|
artikel
|
| 2 |
Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies
|
Felker, Peter M.
|
|
2017
|
683 |
C |
p. 172-178
|
artikel
|
| 3 |
A computational study of the Diels-Alder reactions between 2,3-dibromo-1,3-butadiene and maleic anhydride
|
Rivero, Uxía
|
|
2017
|
683 |
C |
p. 598-605
|
artikel
|
| 4 |
A full-dimensional time-dependent wave packet study of the H+CO2 →OH+CO reaction
|
Sun, Peng
|
|
2017
|
683 |
C |
p. 352-356
|
artikel
|
| 5 |
A general second order complete active space self-consistent-field solver for large-scale systems
|
Sun, Qiming
|
|
2017
|
683 |
C |
p. 291-299
|
artikel
|
| 6 |
Ahmed Zewail (1946–2016): Commemoration Issue of Chemical Physics Letters
|
Clary, David
|
|
2017
|
683 |
C |
p. 1-6
|
artikel
|
| 7 |
Anatomising proton NMR spectra with pure shift 2D J-spectroscopy: A cautionary tale
|
Kiraly, Peter
|
|
2017
|
683 |
C |
p. 398-403
|
artikel
|
| 8 |
Anomalous diffusion of single metal atoms on a graphene oxide support
|
Furnival, Tom
|
|
2017
|
683 |
C |
p. 370-374
|
artikel
|
| 9 |
Attosecond angular flux of partial charges on the carbon atoms of benzene in non-aromatic excited state
|
Hermann, Gunter
|
|
2017
|
683 |
C |
p. 553-558
|
artikel
|
| 10 |
Attosecond transient absorption spectroscopy of molecular nitrogen: Vibrational coherences in the b′ 1Σ+ u state
|
Warrick, Erika R.
|
|
2017
|
683 |
C |
p. 408-415
|
artikel
|
| 11 |
Bonding in gold-rare earth [Au2M] (M=Eu, Yb, Lu) ions. A strong covalent gold-lanthanide bond
|
Páez-Hernández, Dayán
|
|
2017
|
683 |
C |
p. 421-424
|
artikel
|
| 12 |
Broadband stimulated Raman spectroscopy in the deep ultraviolet region
|
Kuramochi, Hikaru
|
|
2017
|
683 |
C |
p. 543-546
|
artikel
|
| 13 |
B26 −: The smallest planar boron cluster with a hexagonal vacancy and a complicated potential landscape
|
Luo, Xue-Mei
|
|
2017
|
683 |
C |
p. 336-341
|
artikel
|
| 14 |
Capturing atomic-scale carrier dynamics with electrons
|
Baum, Peter
|
|
2017
|
683 |
C |
p. 57-61
|
artikel
|
| 15 |
Chemically accurate simulation of dissociative chemisorption of D2 on Pt(111)
|
Nour Ghassemi, Elham
|
|
2017
|
683 |
C |
p. 329-335
|
artikel
|
| 16 |
Coherent motion of excited state cyclic ketones: The have and the have-nots
|
Larsen, M.A.B.
|
|
2017
|
683 |
C |
p. 495-499
|
artikel
|
| 17 |
Comparison of ultrafast electron and X-ray diffraction – A computational study
|
Stefanou, Minas
|
|
2017
|
683 |
C |
p. 300-305
|
artikel
|
| 18 |
Conformer-specific geminate recombination following methyl nitrite photolysis in solution
|
Coulter, Philip M.
|
|
2017
|
683 |
C |
p. 416-420
|
artikel
|
| 19 |
Conservation of vibrational coherence in ultrafast electronic relaxation: The case of diplatinum complexes in solution
|
Monni, Roberto
|
|
2017
|
683 |
C |
p. 112-120
|
artikel
|
| 20 |
Contents
|
|
|
2017
|
683 |
C |
p. iii-xxix
|
artikel
|
| 21 |
Controlling the inhomogeneity of solid catalysts at the mesoscopic scale
|
Huang, Hua
|
|
2017
|
683 |
C |
p. 18-21
|
artikel
|
| 22 |
Coupling of multi-vibrational modes in bacteriochlorophyll a in solution observed with 2D electronic spectroscopy
|
Yue, Shuai
|
|
2017
|
683 |
C |
p. 591-597
|
artikel
|
| 23 |
Decomposition of total solvation energy into core, side-chains and water contributions: Role of cross correlations and protein conformational fluctuations in dynamics of hydration layer
|
Mondal, Sayantan
|
|
2017
|
683 |
C |
p. 29-37
|
artikel
|
| 24 |
Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods
|
Lee, Sebastian J.R.
|
|
2017
|
683 |
C |
p. 375-382
|
artikel
|
| 25 |
Density profile of nitrogen in cylindrical pores of MCM-41
|
Soper, Alan K.
|
|
2017
|
683 |
C |
p. 529-535
|
artikel
|
| 26 |
Direct grid-based quantum dynamics on propagated diabatic potential energy surfaces
|
Richings, Gareth W.
|
|
2017
|
683 |
C |
p. 228-233
|
artikel
|
| 27 |
Direct time-resolved spectroscopic investigation of intramolecular hydrogen atom transfer of deoxyblebbistatin
|
Li, Ming-De
|
|
2017
|
683 |
C |
p. 431-435
|
artikel
|
| 28 |
Discrimination of 1,1-difluoroethylene nuclear spin isomers in the presence of non-adiabatic coupling terms
|
Gómez, Sandra
|
|
2017
|
683 |
C |
p. 205-210
|
artikel
|
| 29 |
Dynamically concerted and stepwise trajectories of the Cope rearrangement of 1,5-hexadiene
|
Mackey, Joel L.
|
|
2017
|
683 |
C |
p. 253-257
|
artikel
|
| 30 |
Dynamics of adsorbate rotation in electron-induced reaction
|
Hu, Zhixin
|
|
2017
|
683 |
C |
p. 443-447
|
artikel
|
| 31 |
Dynamics of hydration water and coupled protein sidechains around a polymerase protein surface
|
Qin, Yangzhong
|
|
2017
|
683 |
C |
p. 658-665
|
artikel
|
| 32 |
Editorial Board
|
|
|
2017
|
683 |
C |
p. IFC
|
artikel
|
| 33 |
Electrocatalytic synthesis of hydrogen peroxide on Au-Pd nanoparticles: From fundamentals to continuous production
|
Pizzutilo, Enrico
|
|
2017
|
683 |
C |
p. 436-442
|
artikel
|
| 34 |
Electronic structure and excited state properties of iron carbene photosensitizers – A combined X-ray absorption and quantum chemical investigation
|
Ericson, Fredric
|
|
2017
|
683 |
C |
p. 559-566
|
artikel
|
| 35 |
Emissive nanotubes from templated self-assembly of small molecules
|
Tseng, Kuo-Pi
|
|
2017
|
683 |
C |
p. 43-48
|
artikel
|
| 36 |
Enhancement of infrared activity by moving electrons through bonds – The case of CO2 anion and carboxylate
|
Thompson, Michael C.
|
|
2017
|
683 |
C |
p. 586-590
|
artikel
|
| 37 |
Evolution of electron density towards the conical intersection of a nucleic acid purine
|
Gutiérrez-Arzaluz, Luis
|
|
2017
|
683 |
C |
p. 425-430
|
artikel
|
| 38 |
Exciton dynamics in cation-exchanged CdSe/PbSe nanorods: The role of defects
|
Lee, Sooho
|
|
2017
|
683 |
C |
p. 342-346
|
artikel
|
| 39 |
Excitonic coupling effect on the nonradiative decay rate in molecular aggregates: Formalism and application
|
Li, Wenqiang
|
|
2017
|
683 |
C |
p. 507-514
|
artikel
|
| 40 |
Explicit correlation factors
|
Johnson, Cole M.
|
|
2017
|
683 |
C |
p. 247-252
|
artikel
|
| 41 |
Femtochemistry in the electronic ground state: Dynamic Stark control of vibrational dynamics
|
Shu, Chuan-Cun
|
|
2017
|
683 |
C |
p. 234-239
|
artikel
|
| 42 |
Femtosecond electron spectroscopy in an electron microscope with high brightness beams
|
Zhou, Faran
|
|
2017
|
683 |
C |
p. 488-494
|
artikel
|
| 43 |
Femtosecond photodissociation dynamics of chloroiodomethane in the first absorption band
|
Murillo-Sánchez, M.L.
|
|
2017
|
683 |
C |
p. 22-28
|
artikel
|
| 44 |
Femtosecond real-time probing of reactions MMXVII: The predissociation of sodium iodide in the A 0+ state
|
Rasskazov, Gennady
|
|
2017
|
683 |
C |
p. 121-127
|
artikel
|
| 45 |
Femtosecond stimulated Raman study of the photoactive flavoprotein AppABLUF
|
Hall, Christopher R.
|
|
2017
|
683 |
C |
p. 365-369
|
artikel
|
| 46 |
Few-cycle pulse generation from noncollinear optical parametric amplifier with static dispersion compensation
|
Adachi, Shunsuke
|
|
2017
|
683 |
C |
p. 7-11
|
artikel
|
| 47 |
Fluorescence spectroscopy of vibronic polaritons of molecular aggregates in optical microcavities
|
Zhang, Zhedong
|
|
2017
|
683 |
C |
p. 653-657
|
artikel
|
| 48 |
Gauge origin independence in finite basis sets and perturbation theory
|
Sørensen, Lasse Kragh
|
|
2017
|
683 |
C |
p. 536-542
|
artikel
|
| 49 |
Genetic algorithm approach to global optimization of the full-dimensional potential energy surface for hydrogen atom at fcc-metal surfaces
|
Kammler, Marvin
|
|
2017
|
683 |
C |
p. 286-290
|
artikel
|
| 50 |
Gold icosahedral nanocages: Facile synthesis, optical properties, and fragmentation under ultrasonication
|
Yang, Xuan
|
|
2017
|
683 |
C |
p. 613-618
|
artikel
|
| 51 |
High photovoltage in perovskite solar cells: New physical insights from the ultrafast transient absorption spectroscopy
|
Dar, M. Ibrahim
|
|
2017
|
683 |
C |
p. 211-215
|
artikel
|
| 52 |
Improved treatment of nucleosides and nucleotides in the OPLS-AA force field
|
Robertson, Michael J.
|
|
2017
|
683 |
C |
p. 276-280
|
artikel
|
| 53 |
Interrogating ultrafast dynamics of a salicylideneaniline derivative within faujasite zeolites
|
Alarcos, Noemí
|
|
2017
|
683 |
C |
p. 145-153
|
artikel
|
| 54 |
Investigation of charge separation in particulate oxysulfide and oxynitride photoelectrodes by surface photovoltage spectroscopy
|
Kodera, Masanori
|
|
2017
|
683 |
C |
p. 140-144
|
artikel
|
| 55 |
Is back-electron transfer process in Betaine-30 coherent?
|
Rafiq, Shahnawaz
|
|
2017
|
683 |
C |
p. 500-506
|
artikel
|
| 56 |
Isotope-labeled aspartate sidechain as a non-perturbing infrared probe: Application to investigate the dynamics of a carboxylate buried inside a protein
|
Abaskharon, Rachel M.
|
|
2017
|
683 |
C |
p. 193-198
|
artikel
|
| 57 |
Kinetics of the E46Q mutant of photoactive yellow protein investigated by transient grating spectroscopy
|
Yang, Cheolhee
|
|
2017
|
683 |
C |
p. 262-267
|
artikel
|
| 58 |
Leveraging symmetry to predict self-assembly of multiple polymers
|
Lin, Milo M.
|
|
2017
|
683 |
C |
p. 347-351
|
artikel
|
| 59 |
Lifetimes and energetics of the first electronically excited states of NaH2O from time-resolved photoelectron imaging
|
Gartmann, Thomas E.
|
|
2017
|
683 |
C |
p. 515-520
|
artikel
|
| 60 |
Low-pressure yields of stabilized Criegee intermediates CH3CHOO and (CH3)2COO in ozonolysis of trans-2-butene and 2,3-dimethyl-2-butene
|
Campos-Pineda, Mixtli
|
|
2017
|
683 |
C |
p. 647-652
|
artikel
|
| 61 |
Low-temperature CO oxidation on Co(0001)
|
Wu, Jiawei
|
|
2017
|
683 |
C |
p. 633-638
|
artikel
|
| 62 |
Monitoring non-adiabatic dynamics in CS2 with time- and energy-resolved photoelectron spectra of wavepackets
|
Wang, Kwanghsi
|
|
2017
|
683 |
C |
p. 579-585
|
artikel
|
| 63 |
Multi-state non-adiabatic direct-dynamics on propagated diabatic potential energy surfaces
|
Richings, Gareth W.
|
|
2017
|
683 |
C |
p. 606-612
|
artikel
|
| 64 |
Nonadiabatic eigenfunctions can have conical nodes
|
Foster, Peter W.
|
|
2017
|
683 |
C |
p. 268-275
|
artikel
|
| 65 |
Non-radiative relaxation dynamics of pyrrole following excitation in the range 249.5–200nm
|
Kirkby, Oliver M.
|
|
2017
|
683 |
C |
p. 179-185
|
artikel
|
| 66 |
Observation of H displacement and H2 elimination channels in the reaction of O(3P) with 1-butene from crossed beams and theoretical studies
|
Caracciolo, Adriana
|
|
2017
|
683 |
C |
p. 105-111
|
artikel
|
| 67 |
OD+CO→D+CO2 branching kinetics probed with time-resolved frequency comb spectroscopy
|
Bui, Thinh Q.
|
|
2017
|
683 |
C |
p. 91-95
|
artikel
|
| 68 |
Orientations of nonlocal vibrational modes from combined experimental and theoretical sum frequency spectroscopy
|
Chase, Hilary M.
|
|
2017
|
683 |
C |
p. 199-204
|
artikel
|
| 69 |
Phosgene at the complete basis set limit of CCSDT(Q): Molecular structure and rovibrational analysis
|
Murphy, Kevin V.
|
|
2017
|
683 |
C |
p. 12-17
|
artikel
|
| 70 |
Photodissociation of phenol via nonadiabatic tunneling: Comparison of two ab initio based potential energy surfaces
|
Xie, Changjian
|
|
2017
|
683 |
C |
p. 222-227
|
artikel
|
| 71 |
Pursuit of the Kramers-Henneberger atom
|
Wei, Qi
|
|
2017
|
683 |
C |
p. 240-246
|
artikel
|
| 72 |
Quantification of surface functionalities on graphene, boron nitride and borocarbonitrides by fluorescence labeling
|
Barua, Manaswee
|
|
2017
|
683 |
C |
p. 459-466
|
artikel
|
| 73 |
Quantum controlled fusion
|
Berrios, Eduardo
|
|
2017
|
683 |
C |
p. 216-221
|
artikel
|
| 74 |
Reactive molecular dynamics models from ab initio molecular dynamics data using relative entropy minimization
|
Arntsen, Christopher
|
|
2017
|
683 |
C |
p. 573-578
|
artikel
|
| 75 |
Records for conversion of laser energy to nuclear energy in exploding nanostructures
|
Jortner, Joshua
|
|
2017
|
683 |
C |
p. 281-285
|
artikel
|
| 76 |
Relating transition-state spectroscopy to standard chemical spectroscopic processes
|
Reimers, Jeffrey R.
|
|
2017
|
683 |
C |
p. 467-477
|
artikel
|
| 77 |
Role of electron-nuclear coupled dynamics on charge migration induced by attosecond pulses in glycine
|
Lara-Astiaso, Manuel
|
|
2017
|
683 |
C |
p. 357-364
|
artikel
|
| 78 |
Rotational energy transfer in collisions between CO and Ar at temperatures from 293 to 30K
|
Mertens, Laura A.
|
|
2017
|
683 |
C |
p. 521-528
|
artikel
|
| 79 |
Second harmonic study of acid-base equilibrium at gold nanoparticle/aqueous interface
|
Ma, Jianqiang
|
|
2017
|
683 |
C |
p. 166-171
|
artikel
|
| 80 |
Solvation dynamics in water confined within layered manganese dioxide
|
Remsing, Richard C.
|
|
2017
|
683 |
C |
p. 478-482
|
artikel
|
| 81 |
Solvent-control of photoinduced electron transfer via hydrogen bonding in a molecular triad made of a dinuclear chromophore subunit
|
Arrigo, Antonino
|
|
2017
|
683 |
C |
p. 96-104
|
artikel
|
| 82 |
Spectral modulation observed in artificial photosynthetic complexes by real-time vibrational spectroscopy
|
Du, Juan
|
|
2017
|
683 |
C |
p. 154-159
|
artikel
|
| 83 |
Spectroscopic properties of the S1 state of linear carotenoids after excess energy excitation
|
Kuznetsova, Valentyna
|
|
2017
|
683 |
C |
p. 448-453
|
artikel
|
| 84 |
Spin-orbit effect into isomerization barrier of small gold Clusters. O h ↔ D 2h Fluxionality of the Au6 2+ cluster Investigated by relativistic methods
|
Muñoz-Castro, Alvaro
|
|
2017
|
683 |
C |
p. 404-407
|
artikel
|
| 85 |
Strong field dissociative ionization of the D 2 + : Nuclear wave packet analysis
|
Tóth, A.
|
|
2017
|
683 |
C |
p. 567-572
|
artikel
|
| 86 |
Structural and optical properties of a perylene bisimide in aqueous media
|
Burian, Max
|
|
2017
|
683 |
C |
p. 454-458
|
artikel
|
| 87 |
Structures and ultrafast dynamics of interfacial water assemblies on smooth hydrophobic surfaces
|
Yang, Ding-Shyue
|
|
2017
|
683 |
C |
p. 625-632
|
artikel
|
| 88 |
The impact of Au doping on the charge carrier dynamics at the interfaces between cationic porphyrin and silver nanoclusters
|
Almansaf, Abdulkhaleq A.
|
|
2017
|
683 |
C |
p. 393-397
|
artikel
|
| 89 |
The low-lying electronic states of MgO
|
Bauschlicher Jr., Charles W.
|
|
2017
|
683 |
C |
p. 62-67
|
artikel
|
| 90 |
Time resolved resonant photoemission study of energy level alignment at donor/acceptor interfaces
|
Costantini, R.
|
|
2017
|
683 |
C |
p. 135-139
|
artikel
|
| 91 |
Time resolved study of hydroxyl radical oxidation of oleic acid at the air-water interface
|
Zhang, Xinxing
|
|
2017
|
683 |
C |
p. 76-82
|
artikel
|
| 92 |
Towards core-excitation spectra in attosecond spectroscopy: A coupled-cluster study of ClF
|
Bazante, Alexandre P.
|
|
2017
|
683 |
C |
p. 68-75
|
artikel
|
| 93 |
Towards XUV pump-probe experiments in the femtosecond to sub-femtosecond regime: New measurement of the helium two-photon ionization cross-section
|
Barillot, T.R.
|
|
2017
|
683 |
C |
p. 38-42
|
artikel
|
| 94 |
Translational versus rotational energy flow in water solvation dynamics
|
Rey, Rossend
|
|
2017
|
683 |
C |
p. 483-487
|
artikel
|
| 95 |
Ultrafast electron diffraction study of single-crystal (EDO-TTF)2SbF6: Counterion effect and dimensionality reduction
|
Liu, Lai Chung
|
|
2017
|
683 |
C |
p. 160-165
|
artikel
|
| 96 |
Ultrafast electron microscopy: Instrument response from the single-electron to high bunch-charge regimes
|
Plemmons, Dayne A.
|
|
2017
|
683 |
C |
p. 186-192
|
artikel
|
| 97 |
Ultrafast isomerization in a difluoroboryl-coordinated molecular switch
|
Consani, Cristina
|
|
2017
|
683 |
C |
p. 83-90
|
artikel
|
| 98 |
Ultrafast lattice dynamics of single crystal and polycrystalline gold nanofilms☆
|
Hu, Jianbo
|
|
2017
|
683 |
C |
p. 258-261
|
artikel
|
| 99 |
Ultrafast molecular photoionization by two-color orthogonally polarized ultraviolet laser pulses: Effects of relative pulse phases
|
Yuan, Kai-Jun
|
|
2017
|
683 |
C |
p. 639-646
|
artikel
|
| 100 |
Ultrafast photochemical dynamics of the hexaaquairon(III) ion
|
Danforth, Rebecca A.
|
|
2017
|
683 |
C |
p. 315-321
|
artikel
|
| 101 |
Ultrafast photochemistry with two product channels: Wavepacket motion through two distinct conical intersections
|
Riedle, Eberhard
|
|
2017
|
683 |
C |
p. 128-134
|
artikel
|
| 102 |
Ultrafast photo-induced charge transfer of 1-naphthol and 2-naphthol to halocarbon solvents
|
Chaudhuri, Subhajyoti
|
|
2017
|
683 |
C |
p. 49-56
|
artikel
|
| 103 |
Ultrafast relaxation dynamics of amine-substituted bipyridyl ruthenium(ii) complexes
|
Song, Hongwei
|
|
2017
|
683 |
C |
p. 322-328
|
artikel
|
| 104 |
Ultrafast relaxation dynamics of nitric oxide synthase studied by visible broadband transient absorption spectroscopy
|
Hung, Chih-Chang
|
|
2017
|
683 |
C |
p. 619-624
|
artikel
|
| 105 |
Understanding nanoparticle-mediated nucleation pathways of anisotropic nanoparticles
|
Laramy, Christine R.
|
|
2017
|
683 |
C |
p. 389-392
|
artikel
|
| 106 |
Vibrational frequency fluctuations of ionic vibrational probe in water: Theoretical study with molecular dynamics simulation
|
Okuda, Masaki
|
|
2017
|
683 |
C |
p. 547-552
|
artikel
|
| 107 |
Wavepacket revivals via complex trajectory propagation
|
Koch, Werner
|
|
2017
|
683 |
C |
p. 306-314
|
artikel
|
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