Nonadiabatic decay dynamics of 9H-guanine in aqueous solution

QM/MM Nonadiabatic Decay Dynamics of 9H-Adenine in Aqueous Solution

(2011) Zhenggang Lan et al.   CHEMPHYSCHEM

The decay mechanism of photoexcited guanine − A nonadiabatic dynamics study

(2011) Mario Barbatti et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic dynamics with trajectory surface hopping method

(2011) Mario Barbatti   Wiley Interdisciplinary Reviews-Computational Molecular Science

Benchmarks of electronically excited states: Basis set effects on CASPT2 results

(2010) Mario R. Silva-Junior et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmark of Electronically Excited States for Semiempirical Methods: MNDO, AM1, PM3, OM1, OM2, OM3, INDO/S, and INDO/S2

(2010) Mario R. Silva-Junior et al.   Journal of Chemical Theory and Computation

Excited-State Dynamics of dGMP Measured by Steady-State and Femtosecond Fluorescence Spectroscopy†

(2010) Francois-Alexandre Miannay et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nonradiative Decay Mechanisms in DNA Model Systems

(2010) Bern Kohler   Journal of Physical Chemistry Letters

Hydration of nucleic acid bases: a Car–Parrinello molecular dynamics approach

(2010) Al’ona Furmanchuk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Photoinduced Nonadiabatic Dynamics of 9H-Guanine

(2009) Zhenggang Lan et al.   CHEMPHYSCHEM

QM/MM calculation of solvent effects on absorption spectra of guanine

(2009) Maja Parac et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations†

(2009) Johannes Kästner et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Photoinduced Dynamics of Guanosine Monophosphate in Water from Broad-Band Transient Absorption Spectroscopy and Quantum-Chemical Calculations

(2009) Venugopal Karunakaran et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DNA Excited-State Dynamics: From Single Bases to the Double Helix

(2008) Chris T. Middleton et al.   Annual Review of Physical Chemistry

Implementation of surface hopping molecular dynamics using semiempirical methods

(2008) E. Fabiano et al.   CHEMICAL PHYSICS

Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

(2008) Mario R. Silva-Junior et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

(2008) Marko Schreiber et al.   JOURNAL OF CHEMICAL PHYSICS

Ab Initio Studies on the Photophysics of Guanine Tautomers: Out-of-Plane Deformation and NH Dissociation Pathways to Conical Intersections

(2008) Shohei Yamazaki et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nonradiative Decay Mechanisms of the Biologically Relevant Tautomer of Guanine

(2008) Shohei Yamazaki et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Hydration-Dependent Structural Deformation of Guanine in the Electronic Singlet Excited State

(2008) M. K. Shukla et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Three-State Model for the Photophysics of Guanine

(2008) Luis Serrano-Andrés et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY