相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Time-Resolved Insight into the Photosensitized Generation of Singlet Oxygen in Endoperoxides
Lara Martinez-Fernandez et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Excited-State Dynamics of Pentacene Derivatives with Stable Radical Substituents
Akitaka Ito et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)
On the Reaction Mechanism of the Complete Intermolecular O2 Transfer between Mononuclear Nickel and Manganese Complexes with Macrocyclic Ligands
Jhon Zapata-Rivera et al.
CHEMISTRY-A EUROPEAN JOURNAL (2014)
Computational Reference Data for the Photochemistry of Cyclobutane Pyrimidine Dimers
Mario Barbatti
CHEMPHYSCHEM (2014)
Spin-orbit effects in square-planar Pt(II) complexes with bidentate and terdentate ligands: theoretical absorption/emission spectroscopy
Christophe Gourlaouen et al.
DALTON TRANSACTIONS (2014)
Theoretical Spectroscopy and Photodynamics of a Ruthenium Nitrosyl Complex
Leon Freitag et al.
INORGANIC CHEMISTRY (2014)
Trajectory surface hopping study of the O(3P) + C2H2 reaction dynamics: Effect of collision energy on the extent of intersystem crossing
Karunamoy Rajak et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Derivation of spin-orbit couplings in collinear linear-response TDDFT: A rigorous formulation
Felipe Franco de Carvalho et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods
Sebastian Mai et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Non-adiabatic and intersystem crossing dynamics in SO2. II. The role of triplet states in the bound state dynamics studied by surface-hopping simulations
Sebastian Mai et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Communication: Theoretical prediction of the importance of the 3B2 state in the dynamics of sulfur dioxide
Camille Leveque et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Interplay of radiative and nonradiative transitions in surface hopping with radiation-molecule interactions
Juan Jose Bajo et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Generalized trajectory surface-hopping method for internal conversion and intersystem crossing
Ganglong Cui et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Communication: The dark singlet state as a doorway state in the ultrafast and efficient intersystem crossing dynamics in 2-thiothymine and 2-thiouracil
Marvin Pollum et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Internal Conversion versus Intersystem Crossing: What Drives the Gas Phase Dynamics of Cyclic α,β-Enones?
Oliver Schalk et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
A Quantum Dynamics Study of the Ultrafast Relaxation in a Prototypical Cu(I)-Phenanthroline
G. Capano et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Quantum Mechanics/Molecular Mechanics Study of Oxygen Binding in Hemocyanin
Toru Saito et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Intersystem Crossing Enables 4-Thiothymidine to Act as a Photosensitizer in Photodynamic Therapy: An Ab Initio QM/MM Study
Gang Long Cui et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
Structural dynamics effects on the ultrafast chemical bond cleavage of a photodissociation reaction
Maria E. Corrales et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Ultrafast intersystem crossing dynamics in uracil unravelled by ab initio molecular dynamics
Martin Richter et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces
Maurizio Persico et al.
THEORETICAL CHEMISTRY ACCOUNTS (2014)
Competing ultrafast intersystem crossing and internal conversion: a time resolved picture for the deactivation of 6-thioguanine
Lara Martinez-Fernandez et al.
CHEMICAL SCIENCE (2014)
Structural and spectroscopic properties of Ir(III) complexes with phenylpyridine ligands: Absorption spectra without and with spin-orbit-coupling
Houari Brahim et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2014)
Simulation of the π → π* photodynamics of azobenzene: Decoherence and solvent effects
Valentina Cantatore et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2014)
2-Thiouracil deactivation pathways and triplet states population
Joao Paulo Gobbo et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2014)
Semiempirical quantum-chemical methods
Walter Thiel
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)
Non-adiabatic dynamics close to conical intersections and the surface hopping perspective
Joao Pedro Malhado et al.
FRONTIERS IN CHEMISTRY (2014)
Singlet and Triplet Excited-State Dynamics Study of the Keto and Enol Tautomers of Cytosine
Sebastian Mai et al.
CHEMPHYSCHEM (2013)
Local Control Theory using Trajectory Surface Hopping and Linear-Response Time-Dependent Density Functional Theory
Basile F. E. Curchod et al.
CHIMIA (2013)
A quantum time-dependent wave-packet study of intersystem crossing effects in the O(3P0,1,2) + D2(v=0, j=0) reaction
Juan Zhao
JOURNAL OF CHEMICAL PHYSICS (2013)
Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution: Excited-state QM/MM molecular dynamics simulations
Akira Nakayama et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence
Joseph E. Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Nonadiabatic excited-state molecular dynamics: Treatment of electronic decoherence
Tammie Nelson et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Dynamics of Triplet-State Photochemistry of Pentanal: Mechanisms of Norrish I, Norrish II, and H Abstraction Reactions
Dorit Shemesh et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Excited-State Dynamics in Nitro-Naphthalene Derivatives: Intersystem Crossing to the Triplet Manifold in Hundreds of Femtoseconds
R. Aaron Vogt et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
The Influence of Push-Pull States on the Ultrafast Intersystem Crossing in Nitroaromatics
Rafael Lopez-Arteaga et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Ultrafast Relaxation Dynamics of Osmium-Polypyridine Complexes in Solution
Olivier Braem et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Electronic Relaxation in Benzaldehyde Evaluated via TD-DFT and Localized Diabatization: Intersystem Crossings, Conical Intersections, and Phosphorescence
Qi Ou et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Theoretical study of the photochemical generation of triplet acetophenone
Miquel Huix-Rotllant et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Dynamics of acetone photodissociation: a surface hopping study
Lucilla Favero et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence
Joseph E. Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
An ab initio mechanism for efficient population of triplet states in cytotoxic sulfur substituted DNA bases: the case of 6-thioguanine
Lara Martinez-Fernandez et al.
CHEMICAL COMMUNICATIONS (2012)
Theoretical study on ultrafast intersystem crossing of chromium(III) acetylacetonate
Hideo Ando et al.
CHEMICAL PHYSICS LETTERS (2012)
Fundamental Approaches to Nonadiabaticity: Toward a Chemical Theory beyond the Born-Oppenheimer Paradigm
Takehiro Yonehara et al.
CHEMICAL REVIEWS (2012)
On the interplay between charge, spin and structural dynamics in transition metal complexes
Majed Chergui
DALTON TRANSACTIONS (2012)
Between ethylene and polyenes - the non-adiabatic dynamics of cis-dienes
Thomas S. Kuhlman et al.
FARADAY DISCUSSIONS (2012)
Ultrafast formation of the benzoic acid triplet upon ultraviolet photolysis and its sequential photodissociation in solution
Chunfan Yang et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Surface hopping trajectory simulations with spin-orbit and dynamical couplings
Giovanni Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
ONIOM approach for non-adiabatic on-the-fly molecular dynamics demonstrated for the backbone controlled Dewar valence isomerization
Benjamin P. Fingerhut et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Experimental and theoretical studies of the O(3P)+C2H4 reaction dynamics: Collision energy dependence of branching ratios and extent of intersystem crossing
Bina Fu et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Decoherence-induced surface hopping
Heather M. Jaeger et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer
Felix Plasser et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Mixed Quantum-Classical Dynamics in the Adiabatic Representation To Simulate Molecules Driven by Strong Laser Pulses
Juan Jose Bajo et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Ultrafast Dynamics of the Excited States of 1-(p-Nitrophenyl)-2-(hydroxymethyl)pyrrolidine
Rajib Ghosh et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Spin-Orbit Treatment of UV-vis Absorption Spectra and Photophysics of Rhenium(I) Carbonyl-Bipyridine Complexes: MS-CASPT2 and TD-DFT Analysis
Radka Heydova et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Role of Rydberg States in the Photochemical Dynamics of Ethylene
Toshifumi Mori et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Femtosecond Intersystem Crossing in the DNA Nucleobase Cytosine
Martin Richter et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
Surprising Intrinsic Photostability of the Disulfide Bridge Common in Proteins
Anne B. Stephansen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Harvesting Highly Electronically Excited Energy to Triplet Manifolds: State-Dependent Intersystem Crossing Rate in Os(II) and Ag(I) Complexes
Cheng-Chih Hsu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Elucidating the Early Steps in Photoinitiated Radical Polymerization via Femtosecond Pump-Probe Experiments and DFT Calculations
Thomas J. A. Wolf et al.
MACROMOLECULES (2012)
Highly efficient organic light-emitting diodes from delayed fluorescence
Hiroki Uoyama et al.
NATURE (2012)
Intersystem crossing and dynamics in O(3P)+C2H4 multichannel reaction: Experiment validates theory
Bina Fu et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
Spin-orbit coupling and intersystem crossing in molecules
Christel M. Marian
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Nonadiabatic molecular dynamics with solvent effects: A LR-TDDFT QM/MM study of ruthenium (II) tris (bipyridine) in water
Ivano Tavernelli et al.
CHEMICAL PHYSICS (2011)
Photophysics of isomerizable Re(I) complexes: A theoretical analysis
Megumi Kayanuma et al.
COORDINATION CHEMISTRY REVIEWS (2011)
Nonadiabatic ab initio molecular dynamics including spin-orbit coupling and laser fields
Philipp Marquetand et al.
FARADAY DISCUSSIONS (2011)
A Perspective on the CASPT2 Method
Peter Pulay
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2011)
The CASSCF Method: A Perspective and Commentary
Jeppe Olsen
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2011)
A new approach to decoherence and momentum rescaling in the surface hopping algorithm
Joseph E. Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction
Neil Shenvi et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
SHARC: ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings
Martin Richter et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Gradients for Configuration Interaction Energies with Spin-Orbit Coupling in a Semiempirical Framework
Giovanni Granucci et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Role of Upper Triplet States on the Photophysics of Nitrated Polyaromatic Compounds: S1 Lifetimes of Singly Nitrated Pyrenes
Eddy F. Plaza-Medina et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Excited-State Dynamics in 6-Thioguanosine from the Femtosecond to Microsecond Time Scale
Christian Reichardt et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Nonadiabatic dynamics with trajectory surface hopping method
Mario Barbatti
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Ultrafast spin crossover in 4-thiothymidine in an ionic liquid
Christian Reichardt et al.
CHEMICAL COMMUNICATIONS (2010)
Imaging the radical channel in acetaldehyde photodissociation: Competing mechanisms at energies close to the triplet exit barrier
G. A. Amaral et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Including quantum decoherence in surface hopping
Giovanni Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Software News and Update MOLCAS 7: The Next Generation
Francesco Aquilante et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)
Mechanisms of UV Photodissociation of Small Protonated Peptides
M. Perot et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Room-Temperature Phosphorescence of the DNA Monomer Analogue 4-Thiothymidine in Aqueous Solutions after UVA Excitation
Christian Reichardt et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Competing ultrafast intersystem crossing and internal conversion in the channel 3 region of benzene
R. S. Minns et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Signatures of nonadiabatic O-2 dissociation at Al(111): First-principles fewest-switches study
Christian Carbogno et al.
PHYSICAL REVIEW B (2010)
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
Konrad Heinrich Marti et al.
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2010)
QM/MM Methods for Biomolecular Systems
Hans Martin Senn et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Photochemical Reaction Dynamics of the Primary Event of Vision Studied by Means of a Hybrid Molecular Simulation
Shigehiko Hayashi et al.
BIOPHYSICAL JOURNAL (2009)
Ultrafast dynamics of the S1 excited state of benzene
D. S. N. Parker et al.
CHEMICAL PHYSICS LETTERS (2009)
Dynamic electron correlation effect on conical intersections in photochemical ring-opening reaction of cyclohexadiene: MS-CASPT2 study
Toshifumi Mori et al.
CHEMICAL PHYSICS LETTERS (2009)
On the origin of ultrafast nonradiative transitions in nitro-polycyclic aromatic hydrocarbons: Excited-state dynamics in 1-nitronaphthalene
Christian Reichardt et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Relaxation in the Triplet Manifold of 1-Nitronaphthalene Observed by Transient Absorption Spectroscopy
Jimena S. Zugazagoitia et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Excited-State Dynamics of Nitrated Push-Pull Molecules: The Importance of the Relative Energy of the Singlet and Triplet Manifolds
Elisa Collado-Fregoso et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Intersystem Crossing to Excited Triplet State of Aza Analogues of Nucleic Acid Bases in Acetonitrile
Takashi Kobayashi et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Laser-field-induced surface-hopping method for the simulation and control of ultrafast photodynamics
Roland Mitric et al.
PHYSICAL REVIEW A (2009)
Implementation of surface hopping molecular dynamics using semiempirical methods
E. Fabiano et al.
CHEMICAL PHYSICS (2008)
Algorithmic decoherence time for decay-of-mixing non-Born-Oppenheimer dynamics
Shu Chun Cheng et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Environmental photochemistry of Nitro-PAHs:: Direct observation of ultrafast intersystem crossing in 1-nitropyrene
Carlos E. Crespo-Hernandez et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Excited-state dynamics of nitroperylene in solution: Solvent and excitation wavelength dependence
Omar F. Mohammed et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Enhanced intersystem crossing via a high energy charge transfer state in a perylenediimide-perylenemonoimide dyad
Dirk Veldman et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Ultrafast intersystem crossing in 1-nitronaphthalene. An experimental and computational study
Jimena S. Zugazagoitia et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Trajectory surface hopping study of the O(3P) plus ethylene reaction dynamics
Wenfang Hu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
On-the-fly, electric-field-driven, coupled electron-nuclear dynamics
Garth A. Jones et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Femtosecond fluorescence and intersystem crossing in rhenium(I) carbonyl-bipyridine complexes
Andrea Cannizzo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Photoinduced bond cleavage in CH3ReO3: excited state dynamics
Paulo Jorge Costa et al.
NEW JOURNAL OF CHEMISTRY (2008)
Non-Born-Oppenheimer molecular dynamics of Na•FH photodissociation
Ahren W. Jasper et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Photodissociation dynamics of trimethyltin iodide
N. Ben Amor et al.
CHEMICAL PHYSICS (2007)
CASSCF calculations for photoinduced processes in large molecules: Choosing when to use the RASSCF, ONIOM and MMVB approximations
Michael J. Bearpark et al.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2007)
Ultrafast nonadiabatic dynamics of [FeII(bpy)3]2+ in solution
Wojciech Gawelda et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
A 1 fs spin-flip in a chemical reaction: Photodissociation of HF in solid Ar
A. Cohen et al.
CHEMICAL PHYSICS LETTERS (2007)
Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry
Luis Manuel Frutos et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Critical appraisal of the fewest switches algorithm for surface hopping
Giovanni Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Thymine dimerization in DNA is an ultrafast photoreaction
Wolfgang J. Schreier et al.
SCIENCE (2007)
Singlet excited-state dynamics of nitropolycyclic aromatic hydrocarbons: Direct measurements by femtosecond fluorescence up-conversion
Rodrigo Morales-Cueto et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Intersystem crossing driven by vibronic spin-orbit coupling: a case study on psoralen
Joerg Tatchen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Femtosecond transient absorption and nanosecond time-resolved resonance Raman study of the solvent-dependent photo-deprotection reaction of benzoin diethyl phosphate
Chensheng Ma et al.
CHEMISTRY-A EUROPEAN JOURNAL (2007)
Ultrafast intersystem crossing in 9,10-anthraquinones and intramolecular charge separation in an anthraquinone-based dyad
Hendrik J. van Ramesdonk et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Direct quantum dynamics using variational multi-configuration Gaussian wavepackets
Benjamin Lasorne et al.
CHEMICAL PHYSICS LETTERS (2006)
Ultrafast electron diffraction: Excited state structures and chemistries of aromatic carbonyls
ST Park et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Broadband femtosecond fluorescence spectroscopy of [Ru(bpy)(3)](2+)
Andrea Cannizzo et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
Mean-field dynamics with stochastic decoherence (MF-SD): A new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence
MJ Bedard-Hearn et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Non-Born-Oppenheimer Liouville-von Neumann dynamics. Evolution of a subsystem controlled by linear and population-driven decay of mixing with decoherent and coherent switching
CY Zhu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
Conical intersections and semiclassical trajectories: Comparison to accurate quantum dynamics and analyses of the trajectories
AW Jasper et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Materials for organic solar cells: the C-60/pi-conjugated oligomer approach
JL Segura et al.
CHEMICAL SOCIETY REVIEWS (2005)
Ultrafast excited-state dynamics in nucleic acids
CE Crespo-Hernández et al.
CHEMICAL REVIEWS (2004)
Cage exit supported by spin-orbit coupling: quantum model simulations for CIF in an Ar matrix
MV Korolkov et al.
CHEMICAL PHYSICS LETTERS (2004)
Selectivity control in electron spin inversion processes: Regio- and stereochemistry of Paterno-Buchi photocycloadditions as a powerful tool for mapping intersystem crossing processes
AG Griesbeck et al.
ACCOUNTS OF CHEMICAL RESEARCH (2004)
Ultrafast quenching of the xanthone triplet by energy transfer: New insight into the intersystem crossing kinetics
H Satzger et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Coherent spin control of matrix isolated molecules by IR plus UV laser pulses: Quantum simulations for CIF in Ar
MV Korolkov et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Coherent switching with decay of mixing: An improved treatment of electronic coherence for non-Born-Oppenheimer trajectories
CY Zhu et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Importance of intersystem crossing in the S(3P,1D)+H2→SH+H reaction
B Maiti et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
S1 1A2(nπ*) and S2 1A1(ππ*) states of jet-cooled xanthone
Y Ohshima et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Multilayer formulation of the multiconfiguration time-dependent Hartree theory
HB Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Organic-based magnets: Opportunities in photoinduced magnetism, spintronics, fractal magnetism, and beyond
AJ Epstein
MRS BULLETIN (2003)
Semiclassical simulation of photochemical reactions in condensed phase
M Persico et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2003)
Modelling of reagent reorientation and tunneling in the activated exchange reaction N(D-2)+H-2 -> NH+H
P Larregaray et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
Femtosecond spectroscopy of fragment cage dynamics: I-2 in Kr
M Bargheer et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
Some new classical and semiclassical models for describing tunneling processes with real-valued classical trajectories
JH Xing et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)
Direct semiclassical simulation of photochemical processes with semiempirical wave functions
G Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
On the nonexistence of strictly diabatic molecular electronic bases
BK Kendrick et al.
CHEMICAL PHYSICS LETTERS (2000)
Analysis of spatial light modulation characteristics of C60
S Roy et al.
APPLIED PHYSICS LETTERS (2000)
Computational prediction of the ISC rate for triplet norbornene
JN Harvey et al.
CHEMICAL PHYSICS LETTERS (2000)
分享论文
