Berta Fernández

universidade de santiago de compostela

H指数:29

被引数:4,079

个人简介

暂无内容

教育背景

暂无内容

工作经历

暂无内容

荣誉奖项

暂无内容

Cover Feature: Efficient Machine Learning Barrier Height and Reaction Enthalpy Corrections for Low- and Midlevel Quantum Mechanical Calculations (Small Struct. 7/2026)

封面报道：用于低阶和中阶量子力学计算的机器学习势垒高度和反应焓校正（Small Struct. 7/2026）

Small Structures

IF11.3

2026-07-280

OAAI

Cover Feature: Ab Initio Benchmarking on Unsupported and Coronene-Supported Silver Atomic Clusters: Interplay Between Jahn–Teller Distortions and Fluxionality (Small Struct. 2/2026)

封面故事：无支撑和花基支撑的银原子簇的从头算基准测试：Jahn–Teller畸变与流变性的相互作用（Small Struct. 2/2026）

Small Structures

IF11.3

2026-02-080

OAAI

Ab Initio Benchmarking on Unsupported and Coronene-Supported Silver Atomic Clusters: Interplay Between Jahn–Teller Distortions and Fluxionality

从头算基准测试研究无支撑和冠烯支撑的银原子团簇：Jahn–Teller畸变与流动性之间的相互作用

Small Structures

IF11.3

2025-10-170

OAAI

Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-03-221

PRE

The role of the degree of polymerization in the chiroptical properties of dynamic asymmetric poly(diphenylacetylene)s

JOURNAL OF MATERIALS CHEMISTRY C

IF5.1

2023-01-012

Full Control of the Chiral Overpass Effect in Helical Polymers: P/M Screw Sense Induction by Remote Chiral Centers After Bypassing the First Chiral Residue

完全控制螺旋聚合物中的手性过程效应: 绕过第一个手性残基后远程手性中心的P/M螺旋感应

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2022-10-138

The PM6-FGC Method: Improved Corrections for Amines and Amides

MOLECULES

IF4.6

2022-03-032

OAAI

Dissymmetric Chiral Poly(diphenylacetylene)s: Secondary Structure Elucidation and Dynamic Luminescence

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2022-01-2431

Merging Supramolecular and Covalent Helical Polymers: Four Helices Within a Single

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2021-12-0324

OAAI

New Approach for Correcting Noncovalent Interactions in Semiempirical Quantum Mechanical Methods: The Importance of Multiple-Orientation Sampling

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-08-237

OAAI

From Oligo(Phenyleneethynylene) Monomers to Supramolecular Helices: The Role of Intermolecular Interactions in Aggregation

MOLECULES

IF4.6

2021-06-093

OAAI

Firefly luciferin precursor 2-cyano-6-hydroxybenzothiazole: Fluorescence a la carte controlled by solvent and acidity

DYES AND PIGMENTS

IF4.2

2020-06-015

OAAI

Polymeric Helical Structures a la Carte by Rational Design of Monomers

MACROMOLECULES

IF5.2

2020-04-1418

OAAI

Chiral information harvesting in helical poly(acetylene) derivatives using oligo(p-phenyleneethynylene)s as spacers

CHEMICAL SCIENCE

IF7.4

2020-01-0123

OAAI

The Role of Substituents in Optical Rotation of Oxiranes, Oxetanes, and Oxathietanes

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2019-03-184

PREAI

Decoding the ECD Spectra of Poly(phenylacetylene)s: Structural Significance

ACS OMEGA

IF4.3

2019-03-1325

OAAI

Predicting the Helical Sense of Poly(phenylacetylene)s from their Electron Circular Dichroism Spectra

从电子圆二色光谱预测聚 (苯乙炔) 的螺旋方向

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2018-02-2838

OAAI

Dissecting the Concave-Convex π-π Interaction in Corannulene and Sumanene Dimers: SAPT(DFT) Analysis and Performance of DFT Dispersion-Corrected Methods

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2017-10-2613

PREAI

Accurate intermolecular ground-state potential-energy surfaces of the HCCH-He, Ne, and Ar van der Waals complexes (vol 123, 014309, 2005)

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-03-163

OAAI

Synthesis, antimicrobial evaluation and theoretical prediction of NMR chemical shifts of thiazole and selenazole derivatives with high antifungal activity against Candida spp.

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2016-03-0132

PREAI

Berta Fernández

个人简介

教育背景

工作经历

荣誉奖项

研究方向