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J

José M. Hermida-Ramón

departamento de quimica fisica

H指数:22

被引数:1,354

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Molecular basis of the activity of a photoswitchable histone deacetylase inhibitor

光控组蛋白去乙酰化酶抑制剂的活性分子基础

Journal of Molecular Liquids

IF5.2

2025-09-110

OAAI

A computational study of the aqueous pertechnetate anion: Elucidation of the hydration structure and spectroscopic properties

高tech酸水溶液阴离子的计算研究: 水合结构和光谱性质的阐明

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2025-07-020

PRE

Pelargonic acid's interaction with the auxin transporter PIN1: A potential mechanism behind its phytotoxic effects on plant metabolism

IF4.1

2024-12-010

PRE

The 2-pyridone/2-hydroxypyridine tautomerism in gas phase: An excited state roaming reaction

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-08-240

PRE

Trans-cinnamaldehyde-related overproduction of benzoic acid and oxidative stress on Arabidopsis thaliana

FRONTIERS IN PLANT SCIENCE

IF4.8

2023-04-217

OAAI

Molecular Design of Interfaces of Model Food Nanoemulsions: A Combined Experimental and Theoretical Approach

IF6.6

2023-02-140

OAAI

Achieving S2- in aqueous Solution: An evaluation using First-Principle molecular dynamics simulations

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2022-03-013

OAAI

A Highly Efficient Neutral Anion Receptor in Polar Environments by Synergy of Anion -π Interactions and Hydrogen Bonding

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2021-08-164

OAAI

Structure and spectrum of the hydrated electron. A combined quantum chemical statistical mechanical simulation

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2019-10-012

PREAI

Method for Slater-Type Density Fitting for Intermolecular Electrostatic Interactions with Charge Overlap. I. The Model

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2016-04-0612

PREAI

Electronic effects of substituents on the stability of the iridanaphthalene compound [IrCp*{=C(OMe)CH=C(o-C6H4)(Ph)}(PMe3)]PF6

DALTON TRANSACTIONS

IF3.3

2014-01-0124

PREAI

Simultaneous SERS detection of copper and cobalt at ultratrace levels

超痕量铜和钴的同时SERS检测

IF5.1

2013-01-0194

PRE

Electron Density Based Partitioning Scheme of Interaction Energies

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2011-02-0735

PRE

Towards the design of neutral molecular tweezers for anion recognition

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2007-05-2232

PREAI

Blue-shifting hydrogen bond in the benzene-benzene and benzene-naphthalene complexes

苯-苯和苯-萘配合物中的蓝移氢键

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2006-12-2124

PREAI

A density functional theory study on the electrocyclization of 1,2,4,6-heptatetraene analogues: Converting a pericyclic to a pseudopericyclic reaction

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2005-09-2624

PREAI

Theoretical characterization of structures and energies of benzene-(H2S)n and (H2S)n (n=1-4) clusters - art. no. 204315

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2005-05-2441

PREAI

Are electrocyclization reactions of (3Z)-1,3,5-hexatrienone and nitrogen derivatives pseudopericyclic? A DFT study

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2005-04-1936

PREAI

DFT study of pericyclic and pseudopericyclic thermal cheletropic decarbonylations. Evaluation of magnetic properties

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2003-10-2342

PRE

Inter- and intramolecular potential for the N-formylglycinamide-water system.: A comparison between theoretical modeling and empirical force fields

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2002-12-0934

PRE