Dynamics of atomic clusters in intense optical fields of ultrashort duration.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 75, doi. 10.1007/s12039-011-0188-y
- By:
- Publication type:
- Article
Works matching IS 09743626 AND DT 2012 AND VI 124 AND IP 1
Results: 41
1
2
Design of optimal laser pulses to control molecular rovibrational excitation in a heteronuclear diatomic molecule.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 99, doi. 10.1007/s12039-011-0198-9
- By:
- Publication type:
- Article
3
Variation of kinetic isotope effect in multiple proton transfer reactions.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 209, doi. 10.1007/s12039-012-0216-6
- By:
- Publication type:
- Article
4
Excitation energy transfer from dye molecules to doped graphene.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 233, doi. 10.1007/s12039-012-0221-9
- By:
- Publication type:
- Article
5
Fitness landscapes in natural rocks system evolution: A conceptual DFT treatment.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 29, doi. 10.1007/s12039-011-0187-z
- By:
- Publication type:
- Article
6
Density functional studies of endosulphan and its interaction with glycine and GABA.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 203, doi. 10.1007/s12039-012-0213-9
- By:
- Publication type:
- Article
7
Hydrogenoid orbitals revisited: From Slater orbitals to Coulomb Sturmians.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 187, doi. 10.1007/s12039-012-0215-7
- By:
- Publication type:
- Article
8
Vibrational excitation resulting from electron capture in LUMO of F and HCl - A treatment using the time-dependent wave packet approach.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 141, doi. 10.1007/s12039-011-0201-5
- By:
- Publication type:
- Article
9
Basic principles of ultrafast Raman loss spectroscopy.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 177, doi. 10.1007/s12039-012-0214-8
- By:
- Publication type:
- Article
10
Quenching vibrations by collisions in cold traps: A quantum study for MgH ( XΣ) with He(S).
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 93, doi. 10.1007/s12039-011-0190-4
- By:
- Publication type:
- Article
11
Bhageerath-Targeting the near impossible: Pushing the frontiers of atomic models for protein tertiary structure prediction.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 83, doi. 10.1007/s12039-011-0189-x
- By:
- Publication type:
- Article
12
Partition function of the two-dimensional nearest neighbour Ising models for finite lattices in a non-zero magnetic field.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 105, doi. 10.1007/s12039-011-0191-3
- By:
- Publication type:
- Article
13
Dynamics study of a three-fold pseudo-Jahn-Teller system using the extended Longuet-Higgins formalism.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 115, doi. 10.1007/s12039-011-0192-2
- By:
- Publication type:
- Article
14
Hydrogen bonded networks in formamide [HCONH] ( n = 1 − 10) clusters: A computational exploration of preferred aggregation patterns.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 35, doi. 10.1007/s12039-011-0193-1
- By:
- Publication type:
- Article
15
Understanding proton affinity of tyrosine sidechain in hydrophobic confinement.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 59, doi. 10.1007/s12039-011-0196-y
- By:
- Publication type:
- Article
16
A quantum-classical simulation of a multi-surface multi-mode nuclear dynamics on $ {\rm C_{6}H}_{6}^{+} $ incorporating degeneracy among electronic states.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 51, doi. 10.1007/s12039-011-0195-z
- By:
- Publication type:
- Article
17
Full dimensional quantum scattering study of the H + CN reaction.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 65, doi. 10.1007/s12039-011-0197-x
- By:
- Publication type:
- Article
18
Optimal control of the initiation of a pericyclic reaction in the electronic ground state.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 121, doi. 10.1007/s12039-011-0199-8
- By:
- Publication type:
- Article
19
Structure and intermolecular vibrations of 7-azaindole-water 2:1 complex in a supersonic jet expansion: Laser-induced fluorescence spectroscopy and quantum chemistry calculation.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 131, doi. 10.1007/s12039-011-0200-6
- By:
- Publication type:
- Article
20
Variation of diffusivity with the cation radii in molten salts of superionic conductors containing iodine anion: A molecular dynamics study.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 159, doi. 10.1007/s12039-011-0203-3
- By:
- Publication type:
- Article
21
Evidence for the powerful catalytic ability of imidozirconocene complex from its epoxide ring cleavage reactions - A DFT mechanistic view.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 167, doi. 10.1007/s12039-011-0204-2
- By:
- Publication type:
- Article
22
Dynamics of atom tunnelling in a symmetric double well coupled to an asymmetric double well: The case of malonaldehyde.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 13, doi. 10.1007/s12039-011-0205-1
- By:
- Publication type:
- Article
23
Shape change as entropic phase transition: A study using Jarzynski relation.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 21, doi. 10.1007/s12039-011-0206-0
- By:
- Publication type:
- Article
24
Use of an intense microwave laser to dissociate a diatomic molecule: Theoretical prediction of dissociation dynamics.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 43, doi. 10.1007/s12039-011-0194-0
- By:
- Publication type:
- Article
25
The role of C-H... π interaction in the stabilization of benzene and adamantane clusters.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 193, doi. 10.1007/s12039-012-0218-4
- By:
- Publication type:
- Article
26
Hydrogen bond dynamics and vibrational spectral diffusion in aqueous solution of acetone: A first principles molecular dynamics study.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 215, doi. 10.1007/s12039-012-0219-3
- By:
- Publication type:
- Article
27
Fock-space multi-reference coupled-cluster response with the effect of triples on dipole moment of ClO and SF radicals.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 223, doi. 10.1007/s12039-012-0220-x
- By:
- Publication type:
- Article
28
CONTENTS.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 1, doi. 10.1007/s12039-012-0244-2
- Publication type:
- Article
29
Quantum dynamical study of low-energy photoelectron bands of 2-phenylethyl- N, N-dimethylamine.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 247, doi. 10.1007/s12039-012-0223-7
- By:
- Publication type:
- Article
30
Potentials of mean force for the exo and endo solvolysis of 2-norbornyl chloride in water and DMSO: A constrained molecular dynamics study.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 327, doi. 10.1007/s12039-012-0232-6
- By:
- Publication type:
- Article
31
Adsorption of croconate dyes on TiO anatase (101) surface: A periodic DFT study to understand the binding of diketo groups.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 301, doi. 10.1007/s12039-012-0229-1
- By:
- Publication type:
- Article
32
Quantum dynamics of the Cl+H reaction at ultracold temperatures.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 311, doi. 10.1007/s12039-012-0230-8
- By:
- Publication type:
- Article
33
Structure and transport properties of LiF-BeF mixtures: Comparison of rigid and polarizable ion potentials.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 261, doi. 10.1007/s12039-012-0225-5
- By:
- Publication type:
- Article
34
Dynamics of the dissociative electron attachment in HO and DO: The A resonance and axial recoil approximation.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 271, doi. 10.1007/s12039-012-0226-4
- By:
- Publication type:
- Article
35
On the nature of highly vibrationally excited states of thiophosgene.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 291, doi. 10.1007/s12039-012-0228-2
- By:
- Publication type:
- Article
36
Hydration dynamics of protein molecules in aqueous solution: Unity among diversity.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 317, doi. 10.1007/s12039-012-0231-7
- By:
- Publication type:
- Article
37
Exploring control parameters of two photon processes in solutions.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 281, doi. 10.1007/s12039-012-0227-3
- By:
- Publication type:
- Article
38
Scaling properties of net information measures for bound states of spherical model potentials confined with finite barrier.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 241, doi. 10.1007/s12039-012-0222-8
- By:
- Publication type:
- Article
39
Tailoring approach for obtaining molecular orbitals of large systems.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 149, doi. 10.1007/s12039-011-0202-4
- By:
- Publication type:
- Article
40
Structure, Reactivity and Dynamics.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 11, doi. 10.1007/s12039-012-0264-y
- By:
- Publication type:
- Article
41
Computational investigation of hydrogen adsorption in silicon-lithium binary clusters.
- Published in:
- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 255, doi. 10.1007/s12039-012-0224-6
- By:
- Publication type:
- Article